3,7-dimethyl-1,5-dinitro-9-phenyl-3-azabicyclo[3.3.1]nonane

Systemtic Name: 3,7-dimethyl-1,5-dinitro-9-phenyl-3-azabicyclo[3.3.1]nonane Openeye Name: 3,7-dimethyl-1,5-dinitro-9-phenyl-3-azabicyclo[3.3.1]nonane CAS Name: 3,7-dimethyl-1,5-dinitro-9-phenyl-3-azabicyclo[3.3.1]nonane IUPAC Name: 3,7-dimethyl-1,5-dinitro-9-phenyl-3-azabicyclo[3.3.1]nonane Traditional Name: 3,7-dimethyl-1,5-dinitro-9-phenyl-3-azabicyclo[3.3.1]nonane Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(CN(CC(C1)(C2C3=CC=CC=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1CC2(CN(CC(C1)(C2C3=CC=CC=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4/c1-12-8-15(18(20)21)10-17(2)11-16(9-12,19(22)23)14(15)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3