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

Systemtic Name: 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzenecarbonitrile Openeye Name: 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzonitrile CAS Name: 2-[[4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzonitrile Traditional Name: 2-[(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amino]benzonitrile Formula: C17H14N6O3 MolecularWeight: 350.33146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O3/c18-10-11-5-1-2-6-12(11)19-13-9-14(22-7-3-4-8-22)17(23(24)25)16-15(13)20-26-21-16/h1-2,5-6,9,19H,3-4,7-8H2