[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H19ClN2O5 MolecularWeight: 474.89246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H19ClN2O5/c1-15-6-8-17(9-7-15)23-13-21(20-10-11-22(27)16(2)25(20)28-23)26(31)34-14-24(30)18-4-3-5-19(12-18)29(32)33/h3-13H,14H2,1-2H3