methyl 5-ethanoyl-4-pyridin-3-yl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-ethanoyl-4-pyridin-3-yl-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-acetyl-4-(3-pyridyl)-1H-pyrrole-2-carboxylate CAS Name: 5-acetyl-4-(3-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-4-pyridin-3-yl-1H-pyrrole-2-carboxylate Traditional Name: 5-acetyl-4-(3-pyridyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c1-8(16)12-10(9-4-3-5-14-7-9)6-11(15-12)13(17)18-2/h3-7,15H,1-2H3