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

Systemtic Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-(4-phenylmethoxyphenyl)-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-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-3,8-dimethyl-cinchoninic acid [2-keto-2-[3-methyl-4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C40H31BrN2O7 MolecularWeight: 731.58734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=C(C(=NC3=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)OCC5=CC=CC=C5)C)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=C(C(=NC3=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)OCC5=CC=CC=C5)C)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C40H31BrN2O7/c1-24-19-29(11-18-36(24)50-33-16-12-31(13-17-33)43(46)47)35(44)23-49-40(45)37-26(3)39(42-38-25(2)20-30(41)21-34(37)38)28-9-14-32(15-10-28)48-22-27-7-5-4-6-8-27/h4-21H,22-23H2,1-3H3