[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-(4-bromophenyl)-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-7-chloro-8-methyl-4-quinolinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-(4-bromophenyl)-7-chloro-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-7-chloro-8-methyl-cinchoninic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C25H16BrClN2O5 MolecularWeight: 539.76194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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