(3-cyanophenyl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-cyanobenzyl) ester Formula: C13H9BrN2O2 MolecularWeight: 305.12676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=CC(=CN2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=CC(=CN2)Br)C#N

InChI

InChI=1S/C13H9BrN2O2/c14-11-5-12(16-7-11)13(17)18-8-10-3-1-2-9(4-10)6-15/h1-5,7,16H,8H2