4-bromanyl-2-butyl-5-nitro-pyrazole-3-carboxylate

Systemtic Name: 4-bromanyl-2-butyl-5-nitro-pyrazole-3-carboxylate Openeye Name: 4-bromo-2-butyl-5-nitro-pyrazole-3-carboxylate CAS Name: 4-bromo-2-butyl-5-nitro-3-pyrazolecarboxylate IUPAC Name: 4-bromo-2-butyl-5-nitropyrazole-3-carboxylate Traditional Name: 4-bromo-2-butyl-5-nitro-pyrazole-3-carboxylate Formula: C8H9BrN3O4- MolecularWeight: 291.07876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10BrN3O4/c1-2-3-4-11-6(8(13)14)5(9)7(10-11)12(15)16/h2-4H2,1H3,(H,13,14)/p-1