(phenylmethyl) 4-(2-bromanylethanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-bromanylethanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(2-bromoacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-bromo-1-oxoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromoacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-bromoacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)CBr)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)CBr)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16BrNO3/c1-10-14(13(19)8-17)11(2)18-15(10)16(20)21-9-12-6-4-3-5-7-12/h3-7,18H,8-9H2,1-2H3