[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-12-16-5-3-4-6-17(16)21-13(2)19(12)20(25)28-11-18(24)22-14-7-9-15(10-8-14)23(26)27/h3-10H,11H2,1-2H3,(H,22,24)