4-bromanyl-1-methyl-5-nitro-pyrazole-3-carboxylate

Systemtic Name: 4-bromanyl-1-methyl-5-nitro-pyrazole-3-carboxylate Openeye Name: 4-bromo-1-methyl-5-nitro-pyrazole-3-carboxylate CAS Name: 4-bromo-1-methyl-5-nitro-3-pyrazolecarboxylate IUPAC Name: 4-bromo-1-methyl-5-nitropyrazole-3-carboxylate Traditional Name: 4-bromo-1-methyl-5-nitro-pyrazole-3-carboxylate Formula: C5H3BrN3O4- MolecularWeight: 248.99902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C5H4BrN3O4/c1-8-4(9(12)13)2(6)3(7-8)5(10)11/h1H3,(H,10,11)/p-1