methyl 5-ethanoyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-ethanoyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-acetyl-4-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate CAS Name: 5-acetyl-4-(1-oxido-3-pyridin-1-iumyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-4-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate Traditional Name: 5-acetyl-4-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(N1)C(=O)OC)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

CC(=O)C1=C(C=C(N1)C(=O)OC)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C13H12N2O4/c1-8(16)12-10(6-11(14-12)13(17)19-2)9-4-3-5-15(18)7-9/h3-7,14H,1-2H3