5-nitro-2-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-nitro-2-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 2-isopropyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 5-nitro-2-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 5-nitro-2-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 2-isopropyl-5-nitro-pyrazole-3-carboxylic acid Formula: C7H9N3O4 MolecularWeight: 199.16406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=N1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)N1C(=CC(=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H9N3O4/c1-4(2)9-5(7(11)12)3-6(8-9)10(13)14/h3-4H,1-2H3,(H,11,12)