[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-chloranyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-chloranyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-bromophenyl)-8-chloro-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-chloro-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 2-(4-bromophenyl)-8-chloroquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-chloro-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C31H18BrClN2O7 MolecularWeight: 645.84082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H18BrClN2O7/c32-21-10-4-18(5-11-21)27-16-25(24-2-1-3-26(33)29(24)34-27)31(38)41-17-28(36)19-8-14-23(15-9-19)42-30(37)20-6-12-22(13-7-20)35(39)40/h1-16H,17H2