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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C31H28N2O5/c1-20-11-12-24(17-29(20)33(36)37)30(34)19-38-31(35)26-18-28(32-27-10-6-5-9-25(26)27)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h5-6,9-18,21H,2-4,7-8,19H2,1H3