[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2,8-dimethylquinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2,8-dimethylquinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2,8-dimethylquinoline-4-carboxylate CAS Name: 2,8-dimethyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2,8-dimethylquinoline-4-carboxylate Traditional Name: 2,8-dimethylcinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5/c1-12-5-3-8-16-17(9-13(2)21-19(12)16)20(24)27-11-18(23)14-6-4-7-15(10-14)22(25)26/h3-10H,11H2,1-2H3