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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C27H23N3O5 MolecularWeight: 469.48862

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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(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O5/c1-16-8-11-19(12-9-16)26-18(3)25(21-6-4-5-7-22(21)29-26)27(32)35-15-24(31)28-20-13-10-17(2)23(14-20)30(33)34/h4-14H,15H2,1-3H3,(H,28,31)