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

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7,8-dimethyl-cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C39H29BrN2O7 MolecularWeight: 717.56076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-])Br

InChI

InChI=1S/C39H29BrN2O7/c1-24-25(2)38-33(20-35(24)40)34(21-36(41-38)27-8-14-30(15-9-27)47-22-26-6-4-3-5-7-26)39(44)48-23-37(43)28-10-16-31(17-11-28)49-32-18-12-29(13-19-32)42(45)46/h3-21H,22-23H2,1-2H3