2-ethyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 2-ethyl-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-ethyl-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 2-ethyl-5-(2-methylpropyl)-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-ethyl-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylic acid Traditional Name: 2-ethyl-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid Formula: C10H15N3O4 MolecularWeight: 241.2438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)CC(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C(=C(C(=N1)CC(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H15N3O4/c1-4-12-9(10(14)15)8(13(16)17)7(11-12)5-6(2)3/h6H,4-5H2,1-3H3,(H,14,15)