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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20N2O5/c1-16-9-11-18(12-10-16)23-14-22(21-8-3-5-17(2)25(21)27-23)26(30)33-15-24(29)19-6-4-7-20(13-19)28(31)32/h3-14H,15H2,1-2H3