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

Systemtic Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-methoxy-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-methoxy-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-methyl-cinchoninic acid [2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl] ester Formula: C26H19BrN2O6 MolecularWeight: 535.34286

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H19BrN2O6/c1-15-4-3-5-19-20(13-21(28-25(15)19)16-6-9-18(27)10-7-16)26(31)35-14-23(30)17-8-11-24(34-2)22(12-17)29(32)33/h3-13H,14H2,1-2H3