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

Systemtic Name: 5-nitro-2-[[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile Openeye Name: 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitro-benzonitrile CAS Name: 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[6-(3-hydroxypropylamino)-7-nitro-benzofurazan-4-yl]amino]-5-nitro-benzonitrile Formula: C16H13N7O6 MolecularWeight: 399.31772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C16H13N7O6/c17-8-9-6-10(22(25)26)2-3-11(9)19-12-7-13(18-4-1-5-24)16(23(27)28)15-14(12)20-29-21-15/h2-3,6-7,18-19,24H,1,4-5H2