ethyl 2,4-dimethyl-5-(phenylcarbonyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(phenylcarbonyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-benzoyl-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-benzoyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-benzoyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C2=CC=CC=C2)C

InChI

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