2-[3,4-bis(bromanyl)-5-(phenylmethyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3,4-bis(bromanyl)-5-(phenylmethyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-(5-benzyl-3,4-dibromo-pyrazol-1-yl)acetic acid CAS Name: 2-[3,4-dibromo-5-(phenylmethyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-(5-benzyl-3,4-dibromopyrazol-1-yl)acetic acid Traditional Name: 2-(5-benzyl-3,4-dibromo-pyrazol-1-yl)acetic acid Formula: C12H10Br2N2O2 MolecularWeight: 374.028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=NN2CC(=O)O)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=NN2CC(=O)O)Br)Br

InChI

InChI=1S/C12H10Br2N2O2/c13-11-9(6-8-4-2-1-3-5-8)16(7-10(17)18)15-12(11)14/h1-5H,6-7H2,(H,17,18)