[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H15N3O5/c1-12(18(23)20-14-6-4-7-15(11-14)22(25)26)27-19(24)17-10-9-13-5-2-3-8-16(13)21-17/h2-12H,1H3,(H,20,23)