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

Systemtic Name: 2-butyl-4-chloranyl-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-butyl-4-chloro-5-nitro-pyrazole-3-carboxylic acid CAS Name: 2-butyl-4-chloro-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-butyl-4-chloro-5-nitropyrazole-3-carboxylic acid Traditional Name: 2-butyl-4-chloro-5-nitro-pyrazole-3-carboxylic acid Formula: C8H10ClN3O4 MolecularWeight: 247.6357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClN3O4/c1-2-3-4-11-6(8(13)14)5(9)7(10-11)12(15)16/h2-4H2,1H3,(H,13,14)