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

Systemtic Name: 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile Openeye Name: 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile CAS Name: 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile Traditional Name: 2-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]benzonitrile Formula: C20H14N6O3 MolecularWeight: 386.36356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O3/c21-11-14-8-4-5-9-15(14)23-16-10-17(22-12-13-6-2-1-3-7-13)20(26(27)28)19-18(16)24-29-25-19/h1-10,22-23H,12H2