[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,8-dimethylquinoline-4-carboxylate

Systemtic Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,8-dimethylquinoline-4-carboxylate Openeye Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl] 2,8-dimethylquinoline-4-carboxylate CAS Name: 2,8-dimethyl-4-quinolinecarboxylic acid [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 2,8-dimethylquinoline-4-carboxylate Traditional Name: 2,8-dimethylcinchoninic acid [2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6/c1-12-5-4-6-15-16(9-13(2)22-20(12)15)21(25)29-11-18(24)14-7-8-19(28-3)17(10-14)23(26)27/h4-10H,11H2,1-3H3