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CHEBI:109574 - 4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid

ChEBI IDCHEBI:109574
ChEBI Name4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid
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DownloadsMolfile
FormulaC25H21N3O4S
Net Charge0
Average Mass459.527
Monoisotopic Mass459.12528
SMILESCN(c1ccccc1)c1ccc(C=C(CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-]
InChIInChI=1S/C25H21N3O4S/c1-27(19-7-3-2-4-8-19)21-13-11-17(16-22(21)28(31)32)15-18(12-14-24(29)30)25-26-20-9-5-6-10-23(20)33-25/h2-11,13,15-16H,12,14H2,1H3,(H,29,30)
InChIKeyXQILZURWAUDZSB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid (CHEBI:109574) is a aromatic amine (CHEBI:33860)
4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid (CHEBI:109574) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-21002LINCS