4-[[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(7-nitrobenzofurazan-4-yl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C19H19N6O3+ MolecularWeight: 379.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H18N6O3/c20-12-14-2-4-15(5-3-14)13-23-8-1-9-24(11-10-23)16-6-7-17(25(26)27)19-18(16)21-28-22-19/h2-7H,1,8-11,13H2/p+1