(phenylmethyl) 4-(2-bromoethyl)-5-methanoyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-bromoethyl)-5-methanoyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(2-bromoethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-bromoethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromoethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-bromoethyl)-5-formyl-3-methyl-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(=C1CCBr)C=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1CCBr)C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16BrNO3/c1-11-13(7-8-17)14(9-19)18-15(11)16(20)21-10-12-5-3-2-4-6-12/h2-6,9,18H,7-8,10H2,1H3