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

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-keto-2-(2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

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