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

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-bromo-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-3,8-dimethyl-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)-3,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)-3,8-dimethyl-cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C33H25BrN2O7 MolecularWeight: 641.4648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OC)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OC)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H25BrN2O7/c1-19-16-23(34)17-28-30(20(2)32(35-31(19)28)22-6-10-25(41-3)11-7-22)33(38)42-18-29(37)21-4-12-26(13-5-21)43-27-14-8-24(9-15-27)36(39)40/h4-17H,18H2,1-3H3