methyl 5-(3-chlorophenyl)carbonyl-1-methyl-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(3-chlorophenyl)carbonyl-1-methyl-pyrrole-3-carboxylate Openeye Name: methyl 5-(3-chlorobenzoyl)-1-methyl-pyrrole-3-carboxylate CAS Name: 5-[(3-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-chlorobenzoyl)-1-methylpyrrole-3-carboxylate Traditional Name: 5-(3-chlorobenzoyl)-1-methyl-pyrrole-3-carboxylic acid methyl ester Formula: C14H12ClNO3 MolecularWeight: 277.70298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C14H12ClNO3/c1-16-8-10(14(18)19-2)7-12(16)13(17)9-4-3-5-11(15)6-9/h3-8H,1-2H3