[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 6-bromo-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C26H19BrN2O5 MolecularWeight: 519.34346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H19BrN2O5/c1-15-3-5-18(6-4-15)25-16(2)24(21-13-19(27)9-12-22(21)28-25)26(31)34-14-23(30)17-7-10-20(11-8-17)29(32)33/h3-13H,14H2,1-2H3