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

Systemtic Name: methyl 1-ethyl-5-(2-methylphenyl)carbonyl-pyrrole-3-carboxylate Openeye Name: methyl 1-ethyl-5-(2-methylbenzoyl)pyrrole-3-carboxylate CAS Name: 1-ethyl-5-[(2-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-5-(2-methylbenzoyl)pyrrole-3-carboxylate Traditional Name: 1-ethyl-5-o-toluoyl-pyrrole-3-carboxylic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)C2=CC=CC=C2C)C(=O)OC

Isomeric SMILES

CCN1C=C(C=C1C(=O)C2=CC=CC=C2C)C(=O)OC

InChI

InChI=1S/C16H17NO3/c1-4-17-10-12(16(19)20-3)9-14(17)15(18)13-8-6-5-7-11(13)2/h5-10H,4H2,1-3H3