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

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c25-19(22-12-11-21-15-6-8-16(9-7-15)24(27)28)13-29-20(26)18-10-5-14-3-1-2-4-17(14)23-18/h1-10,21H,11-13H2,(H,22,25)