[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H16ClNO3 MolecularWeight: 305.75614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C16H16ClNO3/c1-3-11-4-6-12(7-5-11)15(19)10(2)21-16(20)14-8-13(17)9-18-14/h4-10,18H,3H2,1-2H3