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

Systemtic Name: methyl 4-(4-chloranylpyridin-3-yl)-5-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-acetyl-4-(4-chloro-3-pyridyl)-1H-pyrrole-2-carboxylate CAS Name: 5-acetyl-4-(4-chloro-3-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-4-(4-chloropyridin-3-yl)-1H-pyrrole-2-carboxylate Traditional Name: 5-acetyl-4-(4-chloro-3-pyridyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H11ClN2O3 MolecularWeight: 278.69104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(N1)C(=O)OC)C2=C(C=CN=C2)Cl

Isomeric SMILES

CC(=O)C1=C(C=C(N1)C(=O)OC)C2=C(C=CN=C2)Cl

InChI

InChI=1S/C13H11ClN2O3/c1-7(17)12-8(5-11(16-12)13(18)19-2)9-6-15-4-3-10(9)14/h3-6,16H,1-2H3