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CHEBI:192743 - 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene

ChEBI IDCHEBI:192743
ChEBI Name2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene
Stars
ASCII Name2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene
DefinitionA member of the class of chromenes that is 4H-chromene substituted by amino, cyano, 3-nitrophenyl, and dimethylamino groups at positions 2, 3, 4 and 7, respectively. It exhibits anti-cancer activity.
Last Modified21 February 2023
Submitterslaulederkind
DownloadsMolfile
FormulaC18H16N4O3
Net Charge0
Average Mass336.351
Monoisotopic Mass336.12224
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O3/c1-21(2)12-6-7-14-16(9-12)25-18(20)15(10-19)17(14)11-4-3-5-13(8-11)22(23)24/h3-9,17H,20H2,1-2H3
InChIKeyPNHBABGLCCOXEK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) has role antineoplastic agent (CHEBI:35610)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) has role apoptosis inducer (CHEBI:68495)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a C-nitro compound (CHEBI:35716)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a aminochromene (CHEBI:38676)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a benzenes (CHEBI:22712)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a nitrile (CHEBI:18379)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a primary amino compound (CHEBI:50994)
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2-amino-7-(dimethylamino)-4-(3-nitrophenyl)-4H-chromene-3-carbonitrile
Synonyms  Source
3-NCSUBMITTER
2-amino-7-(dimethylamino)-4-(3-nitrophenyl)-4H-1-benzopyran-3-carbonitrileIUPAC
Citations