ethyl 7-(2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl)-1-ethyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-(2,6-dimethyl-1-oxido-4-pyridin-1-iumyl)-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)-1-ethyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-(2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl)-1-ethyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=[N+](C(=C3)C)[O-])C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=[N+](C(=C3)C)[O-])C)C(=O)OCC

InChI

InChI=1S/C21H22N2O4/c1-5-22-12-18(21(25)27-6-2)20(24)17-8-7-15(11-19(17)22)16-9-13(3)23(26)14(4)10-16/h7-12H,5-6H2,1-4H3