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

Systemtic Name: (phenylmethyl) 4-bromanyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C14H14BrNO2 MolecularWeight: 308.17046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1Br)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1Br)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H14BrNO2/c1-9-12(15)10(2)16-13(9)14(17)18-8-11-6-4-3-5-7-11/h3-7,16H,8H2,1-2H3