5-methoxycarbonyl-1-methyl-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-1-methyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 5-methoxycarbonyl-1-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 5-methoxycarbonyl-1-methyl-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 5-methoxycarbonyl-1-methyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 5-carbomethoxy-1-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C7H7N3O6 MolecularWeight: 229.14698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C7H7N3O6/c1-9-5(7(13)16-2)4(10(14)15)3(8-9)6(11)12/h1-2H3,(H,11,12)