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

Systemtic Name: (phenylmethyl) 4-(2-bromanylethynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(2-bromoethynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-bromoethynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromoethynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-bromoethynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H14BrNO2 MolecularWeight: 332.19186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO2/c1-11-14(8-9-17)12(2)18-15(11)16(19)20-10-13-6-4-3-5-7-13/h3-7,18H,10H2,1-2H3