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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-6-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H22N2O5/c1-3-18-8-10-19(11-9-18)25-15-23(22-13-17(2)7-12-24(22)28-25)27(31)34-16-26(30)20-5-4-6-21(14-20)29(32)33/h4-15H,3,16H2,1-2H3