[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-methyl-cinchoninic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C25H16BrClN2O5 MolecularWeight: 539.76194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H16BrClN2O5/c1-14-3-2-4-18-19(12-21(28-24(14)18)15-5-8-17(26)9-6-15)25(31)34-13-23(30)16-7-10-20(27)22(11-16)29(32)33/h2-12H,13H2,1H3