(6-methyl-5-bicyclo[3.1.1]heptanyl) 3,5-dinitrobenzoate

Systemtic Name: (6-methyl-5-bicyclo[3.1.1]heptanyl) 3,5-dinitrobenzoate Openeye Name: (6-methylnorpinan-1-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (6-methyl-5-bicyclo[3.1.1]heptanyl) ester IUPAC Name: (6-methyl-5-bicyclo[3.1.1]heptanyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (6-methylnorpinan-1-yl) ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCCC1(C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1C2CCCC1(C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O6/c1-9-10-3-2-4-15(9,8-10)23-14(18)11-5-12(16(19)20)7-13(6-11)17(21)22/h5-7,9-10H,2-4,8H2,1H3