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

Systemtic Name: methyl 4-(benzotriazol-1-yl)-3,5-dinitro-benzoate Openeye Name: methyl 4-(benzotriazol-1-yl)-3,5-dinitro-benzoate CAS Name: 4-(1-benzotriazolyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(benzotriazol-1-yl)-3,5-dinitrobenzoate Traditional Name: 4-(benzotriazol-1-yl)-3,5-dinitro-benzoic acid methyl ester Formula: C14H9N5O6 MolecularWeight: 343.25116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O6/c1-25-14(20)8-6-11(18(21)22)13(12(7-8)19(23)24)17-10-5-3-2-4-9(10)15-16-17/h2-7H,1H3