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

Systemtic Name: 1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C8H5ClN6O6 MolecularWeight: 316.6149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5ClN6O6/c9-4-1-12(11-7(4)15(20)21)3-13-2-5(14(18)19)6(10-13)8(16)17/h1-2H,3H2,(H,16,17)