5-nitro-1-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-nitro-1-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-isopropyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 5-nitro-1-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 5-nitro-1-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-isopropyl-5-nitro-pyrazole-3-carboxylic acid Formula: C7H9N3O4 MolecularWeight: 199.16406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=N1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=CC(=N1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O4/c1-4(2)9-6(10(13)14)3-5(8-9)7(11)12/h3-4H,1-2H3,(H,11,12)