2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate

Systemtic Name: 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate Openeye Name: 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid 2,2,2-trinitroethyl ester IUPAC Name: 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid 2,2,2-trinitroethyl ester Formula: C6H5N5O8 MolecularWeight: 275.1326

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN=C1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(NN=C1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H5N5O8/c12-5(4-1-2-7-8-4)19-3-6(9(13)14,10(15)16)11(17)18/h1-2H,3H2,(H,7,8)