methyl 5-(3-methylphenyl)carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-(3-methylphenyl)carbonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-(3-methylbenzoyl)-1H-pyrrole-2-carboxylate CAS Name: 5-[(3-methylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(3-methylbenzoyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-m-toluoyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC=C(N2)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC=C(N2)C(=O)OC

InChI

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