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

Systemtic Name: 2-[[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile CAS Name: 2-[[5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 2-[[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile Traditional Name: 2-[[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amino]benzonitrile Formula: C18H17N7O3 MolecularWeight: 379.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O3/c1-23-6-8-24(9-7-23)15-10-14(20-13-5-3-2-4-12(13)11-19)16-17(22-28-21-16)18(15)25(26)27/h2-5,10,20H,6-9H2,1H3