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

Systemtic Name: 2-[3,4-bis(bromanyl)pyrazol-1-yl]ethanoic acid; ethane Openeye Name: 2-(3,4-dibromopyrazol-1-yl)acetic acid; ethane CAS Name: 2-(3,4-dibromo-1-pyrazolyl)acetic acid; ethane IUPAC Name: 2-(3,4-dibromopyrazol-1-yl)acetic acid; ethane Traditional Name: 2-(3,4-dibromopyrazol-1-yl)acetic acid; ethane Formula: C7H10Br2N2O2 MolecularWeight: 313.9745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.C1=C(C(=NN1CC(=O)O)Br)Br

Isomeric SMILES

CC.C1=C(C(=NN1CC(=O)O)Br)Br

InChI

InChI=1S/C5H4Br2N2O2.C2H6/c6-3-1-9(2-4(10)11)8-5(3)7;1-2/h1H,2H2,(H,10,11);1-2H3