(2-cyanophenyl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (2-cyanophenyl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (2-cyanobenzyl) ester Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC2=CC=CC=C2C#N)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC2=CC=CC=C2C#N)C

InChI

InChI=1S/C16H14N2O3/c1-11(19)14-7-15(18(2)9-14)16(20)21-10-13-6-4-3-5-12(13)8-17/h3-7,9H,10H2,1-2H3