5-butan-2-yl-2-ethyl-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 5-butan-2-yl-2-ethyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-ethyl-4-nitro-5-sec-butyl-pyrazole-3-carboxylic acid CAS Name: 5-butan-2-yl-2-ethyl-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 5-butan-2-yl-2-ethyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 2-ethyl-4-nitro-5-sec-butyl-pyrazole-3-carboxylic acid Formula: C10H15N3O4 MolecularWeight: 241.2438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC

Isomeric SMILES

CCC(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC

InChI

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