1-[(4-bromanylpyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C8H6BrN5O4 MolecularWeight: 316.06834

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

C1=C(C=NN1CN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C8H6BrN5O4/c9-5-1-10-12(2-5)4-13-3-6(14(17)18)7(11-13)8(15)16/h1-3H,4H2,(H,15,16)