methyl 5-(4-methylphenyl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(4-methylphenyl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(4-methylbenzoyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[(4-methylphenyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylbenzoyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-p-toluoyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C(=O)OC

InChI

InChI=1S/C14H13NO3/c1-9-3-5-10(6-4-9)13(16)12-7-11(8-15-12)14(17)18-2/h3-8,15H,1-2H3