ethyl 2-[3-(dinitromethyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[3-(dinitromethyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: ethyl 2-[3-(dinitromethyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(dinitromethyl)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(dinitromethyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(dinitromethyl)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester Formula: C7H9N5O6 MolecularWeight: 259.17626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=NN1)C([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NC(=NN1)C([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9N5O6/c1-2-18-5(13)3-4-8-6(10-9-4)7(11(14)15)12(16)17/h7H,2-3H2,1H3,(H,8,9,10)