[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO3/c1-10(2)11-3-5-12(6-4-11)15(19)9-21-16(20)14-7-13(17)8-18-14/h3-8,10,18H,9H2,1-2H3