methyl 4-(cyanomethyl)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(cyanomethyl)-3,5-dinitro-benzoate Openeye Name: methyl 4-(cyanomethyl)-3,5-dinitro-benzoate CAS Name: 4-(cyanomethyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(cyanomethyl)-3,5-dinitrobenzoate Traditional Name: 4-(cyanomethyl)-3,5-dinitro-benzoic acid methyl ester Formula: C10H7N3O6 MolecularWeight: 265.17908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])CC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])CC#N)[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O6/c1-19-10(14)6-4-8(12(15)16)7(2-3-11)9(5-6)13(17)18/h4-5H,2H2,1H3