5-butyl-2-ethyl-4-nitro-pyrazole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC

Isomeric SMILES

CCCCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC

InChI

InChI=1S/C10H15N3O4/c1-3-5-6-7-8(13(16)17)9(10(14)15)12(4-2)11-7/h3-6H2,1-2H3,(H,14,15)