[7-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-6-nitro-7H-2,1,3-benzoxadiazol-4-ylidene]-bis(oxidanidyl)azanium

Systemtic Name: [7-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-6-nitro-7H-2,1,3-benzoxadiazol-4-ylidene]-bis(oxidanidyl)azanium Openeye Name: [7-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-6-nitro-7H-2,1,3-benzoxadiazol-4-ylidene]-dioxido-ammonium CAS Name: [7-[2-methyl-1-(4-morpholin-4-iumylidene)propan-2-yl]-6-nitro-7H-2,1,3-benzoxadiazol-4-ylidene]-dioxidoammonium IUPAC Name: [7-(2-methyl-1-morpholin-4-ium-4-ylidenepropan-2-yl)-6-nitro-7H-2,1,3-benzoxadiazol-4-ylidene]-dioxidoazanium Traditional Name: [7-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-6-nitro-7H-benzofurazan-4-ylidene]-dioxido-ammonium Formula: C14H17N5O6 MolecularWeight: 351.31468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=[N+]1CCOCC1)C2C(=CC(=[N+]([O-])[O-])C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

CC(C1C2=NON=C2/C(=[N+](\[O-])/[O-])/C=C1[N+](=O)[O-])(C=[N+]3CCOCC3)C

InChI

InChI=1S/C14H17N5O6/c1-14(2,8-17-3-5-24-6-4-17)11-9(18(20)21)7-10(19(22)23)12-13(11)16-25-15-12/h7-8,11H,3-6H2,1-2H3