5-nitro-2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile Openeye Name: 5-nitro-2-[[4-nitro-5-(2-pyridylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile CAS Name: 5-nitro-2-[[4-nitro-5-(2-pyridinylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 5-nitro-2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile Traditional Name: 5-nitro-2-[[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amino]benzonitrile Formula: C18H10N8O5 MolecularWeight: 418.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NC2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H10N8O5/c19-9-10-7-11(25(27)28)4-5-12(10)21-13-8-14(22-15-3-1-2-6-20-15)18(26(29)30)17-16(13)23-31-24-17/h1-8,21H,(H,20,22)