phenacyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: phenacyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: phenacyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid phenacyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H15NO4/c1-11(18)13-8-14(17(2)9-13)16(20)21-10-15(19)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3