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

Systemtic Name: 5-nitro-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]-5-nitro-benzonitrile CAS Name: 5-nitro-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]-5-nitrobenzonitrile Traditional Name: 2-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]-5-nitro-benzonitrile Formula: C20H13N7O5 MolecularWeight: 431.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H13N7O5/c21-10-13-8-14(26(28)29)6-7-15(13)23-16-9-17(22-11-12-4-2-1-3-5-12)20(27(30)31)19-18(16)24-32-25-19/h1-9,22-23H,11H2