[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-chloro-3-methyl-quinoline-4-carboxylate CAS Name: 6-chloro-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 6-chloro-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-chloro-3-methyl-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C39H27ClN2O8 MolecularWeight: 687.09328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C39H27ClN2O8/c1-24-36(39(45)49-23-35(43)26-9-18-32(19-10-26)50-38(44)28-7-14-30(15-8-28)42(46)47)33-21-29(40)13-20-34(33)41-37(24)27-11-16-31(17-12-27)48-22-25-5-3-2-4-6-25/h2-21H,22-23H2,1H3