[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C19H21NO4 MolecularWeight: 327.37434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-4-13-6-7-14(5-2)16(8-13)18(22)11-24-19(23)17-9-15(10-20-17)12(3)21/h6-10,20H,4-5,11H2,1-3H3