[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O5/c1-16-10-12-18(13-11-16)25-17(2)24(21-8-3-4-9-22(21)28-25)26(31)34-15-23(30)27-19-6-5-7-20(14-19)29(32)33/h3-14H,15H2,1-2H3,(H,27,30)