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

Systemtic Name: 2-[[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitro-benzonitrile CAS Name: 2-[[5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amino]-5-nitro-benzonitrile Formula: C18H16N8O5 MolecularWeight: 424.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N8O5/c1-23-4-6-24(7-5-23)15-9-14(16-17(22-31-21-16)18(15)26(29)30)20-13-3-2-12(25(27)28)8-11(13)10-19/h2-3,8-9,20H,4-7H2,1H3