[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O6/c1-16-7-8-18(13-24(16)28(31)32)25(29)15-34-26(30)21-14-23(17-9-11-19(33-2)12-10-17)27-22-6-4-3-5-20(21)22/h3-14H,15H2,1-2H3