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

Systemtic Name: 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]benzonitrile CAS Name: 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile Traditional Name: 2-[[6-(3-hydroxypropylamino)-7-nitro-benzofurazan-4-yl]amino]benzonitrile Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O4/c17-9-10-4-1-2-5-11(10)19-12-8-13(18-6-3-7-23)16(22(24)25)15-14(12)20-26-21-15/h1-2,4-5,8,18-19,23H,3,6-7H2