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CHEBI:120416 - 3-methyl-4-nitrobenzoic acid [[amino(pyridin-4-yl)methylidene]amino] ester

ChEBI IDCHEBI:120416
ChEBI Name3-methyl-4-nitrobenzoic acid [[amino(pyridin-4-yl)methylidene]amino] ester
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DownloadsMolfile
FormulaC14H12N4O4
Net Charge0
Average Mass300.274
Monoisotopic Mass300.08585
SMILESCc1cc(C(=O)ON=C(N)c2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4/c1-9-8-11(2-3-12(9)18(20)21)14(19)22-17-13(15)10-4-6-16-7-5-10/h2-8H,1H3,(H2,15,17)
InChIKeyIWQBFACHNUUVAN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-methyl-4-nitrobenzoic acid [[amino(pyridin-4-yl)methylidene]amino] ester (CHEBI:120416) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-31859LINCS