7-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-6-nitro-N-oxidanyl-7H-2,1,3-benzoxadiazol-4-imine oxide

Systemtic Name: 7-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-6-nitro-N-oxidanyl-7H-2,1,3-benzoxadiazol-4-imine oxide Openeye Name: 7-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-N-hydroxy-6-nitro-7H-2,1,3-benzoxadiazol-4-imine oxide CAS Name: N-hydroxy-7-[2-methyl-1-(4-morpholin-4-iumylidene)propan-2-yl]-6-nitro-7H-2,1,3-benzoxadiazol-4-imine oxide IUPAC Name: N-hydroxy-7-(2-methyl-1-morpholin-4-ium-4-ylidenepropan-2-yl)-6-nitro-7H-2,1,3-benzoxadiazol-4-imine oxide Traditional Name: 7-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-N-hydroxy-6-nitro-7H-benzofurazan-4-imine oxide Formula: C14H18N5O6+ MolecularWeight: 352.32262

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

InChI

InChI=1S/C14H18N5O6/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,(H,22,23)/q+1