[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-bromo-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-fluorophenyl)-8-methyl-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-bromo-2-(4-fluorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-fluorophenyl)-8-methyl-cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C31H20BrFN2O6 MolecularWeight: 615.402703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H20BrFN2O6/c1-18-14-21(32)15-26-27(16-28(34-30(18)26)19-2-6-22(33)7-3-19)31(37)40-17-29(36)20-4-10-24(11-5-20)41-25-12-8-23(9-13-25)35(38)39/h2-16H,17H2,1H3