ethyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(1-oxidopyridin-1-ium-2-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(1-oxido-2-pyridin-1-iumyl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(1-oxidopyridin-1-ium-2-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(1-oxidopyridin-1-ium-2-carbonyl)oxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C20H18N2O5/c1-3-26-20(24)18-13(2)14-8-4-5-9-15(14)21-16(18)12-27-19(23)17-10-6-7-11-22(17)25/h4-11H,3,12H2,1-2H3