[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-hexylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-hexylphenyl)-6-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H30N2O5/c1-3-4-5-6-8-22-12-14-23(15-13-22)29-19-27(26-17-21(2)11-16-28(26)32-29)31(35)38-20-30(34)24-9-7-10-25(18-24)33(36)37/h7,9-19H,3-6,8,20H2,1-2H3