1-butyl-4-chloranyl-5-nitro-pyrazole-3-carboxylate

Systemtic Name: 1-butyl-4-chloranyl-5-nitro-pyrazole-3-carboxylate Openeye Name: 1-butyl-4-chloro-5-nitro-pyrazole-3-carboxylate CAS Name: 1-butyl-4-chloro-5-nitro-3-pyrazolecarboxylate IUPAC Name: 1-butyl-4-chloro-5-nitropyrazole-3-carboxylate Traditional Name: 1-butyl-4-chloro-5-nitro-pyrazole-3-carboxylate Formula: C8H9ClN3O4- MolecularWeight: 246.62776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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