[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c22-17(19-13-6-8-14(9-7-13)21(24)25)11-26-18(23)16-10-5-12-3-1-2-4-15(12)20-16/h1-10H,11H2,(H,19,22)