7-oxabicyclo[3.2.1]octan-4-ylmethyl 3,5-dinitrobenzoate

Systemtic Name: 7-oxabicyclo[3.2.1]octan-4-ylmethyl 3,5-dinitrobenzoate Openeye Name: 7-oxabicyclo[3.2.1]octan-4-ylmethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 7-oxabicyclo[3.2.1]octan-4-ylmethyl ester IUPAC Name: 7-oxabicyclo[3.2.1]octan-4-ylmethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 7-oxabicyclo[3.2.1]octan-4-ylmethyl ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2CC1OC2)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(C2CC1OC2)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O7/c18-15(24-7-9-1-2-14-5-11(9)8-23-14)10-3-12(16(19)20)6-13(4-10)17(21)22/h3-4,6,9,11,14H,1-2,5,7-8H2