(4-ethanoylphenyl) 4-bromanyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (4-ethanoylphenyl) 4-bromanyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (4-acetylphenyl) 4-bromo-1-methyl-pyrrole-2-carboxylate CAS Name: 4-bromo-1-methyl-2-pyrrolecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-bromo-1-methylpyrrole-2-carboxylate Traditional Name: 4-bromo-1-methyl-pyrrole-2-carboxylic acid (4-acetylphenyl) ester Formula: C14H12BrNO3 MolecularWeight: 322.15398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CN2C)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CN2C)Br

InChI

InChI=1S/C14H12BrNO3/c1-9(17)10-3-5-12(6-4-10)19-14(18)13-7-11(15)8-16(13)2/h3-8H,1-2H3