7-methyl-1,5-dinitro-9-(3-oxidanylidenebutan-2-yl)-7-azabicyclo[3.3.1]non-2-en-4-one

Systemtic Name: 7-methyl-1,5-dinitro-9-(3-oxidanylidenebutan-2-yl)-7-azabicyclo[3.3.1]non-2-en-4-one Openeye Name: 7-methyl-9-(1-methyl-2-oxo-propyl)-1,5-dinitro-7-azabicyclo[3.3.1]non-2-en-4-one CAS Name: 7-methyl-1,5-dinitro-9-(3-oxobutan-2-yl)-7-azabicyclo[3.3.1]non-2-en-4-one IUPAC Name: 7-methyl-1,5-dinitro-9-(3-oxobutan-2-yl)-7-azabicyclo[3.3.1]non-2-en-4-one Traditional Name: 9-(2-keto-1-methyl-propyl)-7-methyl-1,5-dinitro-7-azabicyclo[3.3.1]non-2-en-4-one Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2(CN(CC1(C(=O)C=C2)[N+](=O)[O-])C)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C1C2(CN(CC1(C(=O)C=C2)[N+](=O)[O-])C)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H17N3O6/c1-8(9(2)17)11-12(15(19)20)5-4-10(18)13(11,16(21)22)7-14(3)6-12/h4-5,8,11H,6-7H2,1-3H3