(2-chloranyl-4-fluoranyl-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-chloro-4-fluoro-benzyl) ester Formula: C16H15ClFNO3 MolecularWeight: 323.746603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H15ClFNO3/c1-8-14(10(3)20)9(2)19-15(8)16(21)22-7-11-4-5-12(18)6-13(11)17/h4-6,19H,7H2,1-3H3