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

Systemtic Name: methyl 4-bromanyl-3-nitro-1H-pyrazole-5-carboxylate Openeye Name: methyl 4-bromo-3-nitro-1H-pyrazole-5-carboxylate CAS Name: 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-nitro-1H-pyrazole-5-carboxylate Traditional Name: 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid methyl ester Formula: C5H4BrN3O4 MolecularWeight: 250.00696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)C1=C(C(=NN1)[N+](=O)[O-])Br

InChI

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