5-[(3-bromophenyl)methyl]pyrazol-3-one

Systemtic Name: 5-[(3-bromophenyl)methyl]pyrazol-3-one Openeye Name: 5-[(3-bromophenyl)methyl]pyrazol-3-one CAS Name: 5-[(3-bromophenyl)methyl]-3-pyrazolone IUPAC Name: 5-[(3-bromophenyl)methyl]pyrazol-3-one Traditional Name: 5-(3-bromobenzyl)pyrazol-3-one Formula: C10H7BrN2O MolecularWeight: 251.07938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CC2=CC(=O)N=N2

Isomeric SMILES

C1=CC(=CC(=C1)Br)CC2=CC(=O)N=N2

InChI

InChI=1S/C10H7BrN2O/c11-8-3-1-2-7(4-8)5-9-6-10(14)13-12-9/h1-4,6H,5H2