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

Systemtic Name: 2-(2-methylpropyl)-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-isobutyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 2-(2-methylpropyl)-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-5-nitropyrazole-3-carboxylic acid Traditional Name: 2-isobutyl-5-nitro-pyrazole-3-carboxylic acid Formula: C8H11N3O4 MolecularWeight: 213.19064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O4/c1-5(2)4-10-6(8(12)13)3-7(9-10)11(14)15/h3,5H,4H2,1-2H3,(H,12,13)