4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butan-2-yl nitrate

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butan-2-yl nitrate Openeye Name: [1-methyl-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propyl] nitrate CAS Name: nitric acid 4-(5-nitro-1,3-dioxo-2-isoindolyl)butan-2-yl ester IUPAC Name: 4-(5-nitro-1,3-dioxoisoindol-2-yl)butan-2-yl nitrate Traditional Name: nitric acid [3-(1,3-diketo-5-nitro-isoindolin-2-yl)-1-methyl-propyl] ester Formula: C12H11N3O7 MolecularWeight: 309.23164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(CCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O7/c1-7(22-15(20)21)4-5-13-11(16)9-3-2-8(14(18)19)6-10(9)12(13)17/h2-3,6-7H,4-5H2,1H3