1-butyl-5-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-butyl-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-butyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 1-butyl-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-butyl-5-nitropyrazole-3-carboxylic acid Traditional Name: 1-butyl-5-nitro-pyrazole-3-carboxylic acid Formula: C8H11N3O4 MolecularWeight: 213.19064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=CC(=N1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O4/c1-2-3-4-10-7(11(14)15)5-6(9-10)8(12)13/h5H,2-4H2,1H3,(H,12,13)