6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl 3,5-dinitrobenzoate

Systemtic Name: 6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl 3,5-dinitrobenzoate Openeye Name: 6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl ester IUPAC Name: 6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl ester Formula: C13H10N2O8 MolecularWeight: 322.2271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(C(O1)O2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2C=CC(C(O1)O2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O8/c16-12(23-11-2-1-10-6-21-13(11)22-10)7-3-8(14(17)18)5-9(4-7)15(19)20/h1-5,10-11,13H,6H2