2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylpropanoic acid

Systemtic Name: 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylpropanoic acid Openeye Name: 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylpropanoic acid CAS Name: 2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)thio]propanoic acid IUPAC Name: 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylpropanoic acid Traditional Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)thio]propionic acid Formula: C8H11N3O4S MolecularWeight: 245.25564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])SC(C)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])SC(C)C(=O)O)C

InChI

InChI=1S/C8H11N3O4S/c1-4-6(11(14)15)7(10(3)9-4)16-5(2)8(12)13/h5H,1-3H3,(H,12,13)