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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 8-methyl-2-phenyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H18N2O5/c1-16-7-5-12-20-21(14-22(26-24(16)20)17-8-3-2-4-9-17)25(29)32-15-23(28)18-10-6-11-19(13-18)27(30)31/h2-14H,15H2,1H3