cyclohexa-2,5-dien-1-yl 3,5-dinitrobenzoate

Systemtic Name: cyclohexa-2,5-dien-1-yl 3,5-dinitrobenzoate Openeye Name: cyclohexa-2,5-dien-1-yl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1-cyclohexa-2,5-dienyl ester IUPAC Name: cyclohexa-2,5-dien-1-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid cyclohexa-2,5-dien-1-yl ester Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C=CC(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h2-8,12H,1H2