methyl 3,5-dinitro-4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: methyl 3,5-dinitro-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: methyl 3,5-dinitro-4-(1,2,4-triazol-1-yl)benzoate CAS Name: 3,5-dinitro-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 3,5-dinitro-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester Formula: C10H7N5O6 MolecularWeight: 293.19248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H7N5O6/c1-21-10(16)6-2-7(14(17)18)9(8(3-6)15(19)20)13-5-11-4-12-13/h2-5H,1H3