2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoate

Systemtic Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetate CAS Name: 2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetate IUPAC Name: 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetate Traditional Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetate Formula: C6H5N4O6- MolecularWeight: 229.1271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H6N4O6/c1-3-5(9(13)14)6(10(15)16)7-8(3)2-4(11)12/h2H2,1H3,(H,11,12)/p-1