[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C17H17NO4/c1-3-12-4-6-13(7-5-12)16(20)10-22-17(21)15-8-14(9-18-15)11(2)19/h4-9,18H,3,10H2,1-2H3