[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-6-chloranyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-6-chloranyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-bromophenyl)-6-chloro-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-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)-6-chloroquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-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=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])Br

InChI

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