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

Systemtic Name: 2-butyl-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-butyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 2-butyl-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-butyl-5-nitropyrazole-3-carboxylic acid Traditional Name: 2-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)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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