dinitromethyl benzoate

Systemtic Name: dinitromethyl benzoate Openeye Name: dinitromethyl benzoate CAS Name: benzoic acid dinitromethyl ester IUPAC Name: dinitromethyl benzoate Traditional Name: benzoic acid dinitromethyl ester Formula: C8H6N2O6 MolecularWeight: 226.14304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O6/c11-7(6-4-2-1-3-5-6)16-8(9(12)13)10(14)15/h1-5,8H