1,2,4-triazol-1-ylmethyl 3,5-dinitrobenzoate

Systemtic Name: 1,2,4-triazol-1-ylmethyl 3,5-dinitrobenzoate Openeye Name: 1,2,4-triazol-1-ylmethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1,2,4-triazol-1-ylmethyl ester IUPAC Name: 1,2,4-triazol-1-ylmethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1,2,4-triazol-1-ylmethyl ester Formula: C10H7N5O6 MolecularWeight: 293.19248

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCN2C=NC=N2

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCN2C=NC=N2

InChI

InChI=1S/C10H7N5O6/c16-10(21-6-13-5-11-4-12-13)7-1-8(14(17)18)3-9(2-7)15(19)20/h1-5H,6H2