(6-oxidanylidenecyclohexen-1-yl) 3,5-dinitrobenzoate

Systemtic Name: (6-oxidanylidenecyclohexen-1-yl) 3,5-dinitrobenzoate Openeye Name: (6-oxocyclohexen-1-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (6-oxo-1-cyclohexenyl) ester IUPAC Name: (6-oxocyclohexen-1-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (6-ketocyclohexen-1-yl) ester Formula: C13H10N2O7 MolecularWeight: 306.2277

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=O)C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC=C(C(=O)C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O7/c16-11-3-1-2-4-12(11)22-13(17)8-5-9(14(18)19)7-10(6-8)15(20)21/h4-7H,1-3H2