methyl 1-(2,2-dinitropropyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(2,2-dinitropropyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(2,2-dinitropropyl)triazole-4-carboxylate CAS Name: 1-(2,2-dinitropropyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,2-dinitropropyl)triazole-4-carboxylate Traditional Name: 1-(2,2-dinitropropyl)triazole-4-carboxylic acid methyl ester Formula: C7H9N5O6 MolecularWeight: 259.17626

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=N1)C(=O)OC)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CN1C=C(N=N1)C(=O)OC)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9N5O6/c1-7(11(14)15,12(16)17)4-10-3-5(8-9-10)6(13)18-2/h3H,4H2,1-2H3