[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-bromophenyl)-8-ethyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-bromophenyl)-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(4-bromophenyl)-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-bromophenyl)-8-ethyl-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(4-bromophenyl)-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-bromophenyl)-8-ethyl-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C33H22Br2N2O7 MolecularWeight: 718.34498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H22Br2N2O7/c1-2-19-15-24(35)16-27-28(17-29(36-31(19)27)20-3-9-23(34)10-4-20)33(40)43-18-30(38)21-7-13-26(14-8-21)44-32(39)22-5-11-25(12-6-22)37(41)42/h3-17H,2,18H2,1H3