[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-phenyl-cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C33H23BrN2O7 MolecularWeight: 639.44892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H23BrN2O7/c1-19-16-24(34)17-27-29(20(2)31(35-30(19)27)22-6-4-3-5-7-22)33(39)42-18-28(37)21-10-14-26(15-11-21)43-32(38)23-8-12-25(13-9-23)36(40)41/h3-17H,18H2,1-2H3