[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6,8-dimethyl-2-pyridin-4-yl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6,8-dimethyl-2-pyridin-4-yl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6,8-dimethyl-2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(4-pyridyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H19N3O5/c1-15-10-16(2)24-20(11-15)21(13-22(27-24)17-6-8-26-9-7-17)25(30)33-14-23(29)18-4-3-5-19(12-18)28(31)32/h3-13H,14H2,1-2H3