[2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-bromophenyl)-7,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-bromophenyl)-7,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-bromo-2-(4-bromophenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-bromophenyl)-7,8-dimethyl-4-quinolinecarboxylic acid [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-bromo-2-(4-bromophenyl)-7,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-bromophenyl)-7,8-dimethyl-cinchoninic acid [2-keto-2-[3-methyl-4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C33H24Br2N2O6 MolecularWeight: 704.36146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C(C(=C(C=C23)Br)C)C)C4=CC=C(C=C4)Br)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C(C(=C(C=C23)Br)C)C)C4=CC=C(C=C4)Br)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H24Br2N2O6/c1-18-14-22(6-13-31(18)43-25-11-9-24(10-12-25)37(40)41)30(38)17-42-33(39)27-16-29(21-4-7-23(34)8-5-21)36-32-20(3)19(2)28(35)15-26(27)32/h4-16H,17H2,1-3H3