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

Systemtic Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzenecarbonitrile Openeye Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzonitrile CAS Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzonitrile IUPAC Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzonitrile Traditional Name: 2-[(4-nitrobenzofurazan-5-yl)amino]benzonitrile Formula: C13H7N5O3 MolecularWeight: 281.22638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7N5O3/c14-7-8-3-1-2-4-9(8)15-11-6-5-10-12(17-21-16-10)13(11)18(19)20/h1-6,15H