methyl 4-(5-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)-5-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(5-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)-5-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-acetyl-4-(5-chloro-1-oxido-pyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate CAS Name: 5-acetyl-4-(5-chloro-1-oxido-3-pyridin-1-iumyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-4-(5-chloro-1-oxidopyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate Traditional Name: 5-acetyl-4-(5-chloro-1-oxido-pyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H11ClN2O4 MolecularWeight: 294.69044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4/c1-7(17)12-10(4-11(15-12)13(18)20-2)8-3-9(14)6-16(19)5-8/h3-6,15H,1-2H3