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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-ethyl-2-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-ethyl-2-methyl-quinoline-4-carboxylate CAS Name: 6-ethyl-2-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-ethyl-2-methylquinoline-4-carboxylate Traditional Name: 6-ethyl-2-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N2O5/c1-3-14-7-8-19-17(10-14)18(9-13(2)22-19)21(25)28-12-20(24)15-5-4-6-16(11-15)23(26)27/h4-11H,3,12H2,1-2H3