[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=CC=C4

InChI

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