N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]-3-nitro-benzamide Openeye Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methyleneamino]-3-nitro-benzamide CAS Name: N-[(Z)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylideneamino]-3-nitrobenzamide Traditional Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]amino]-3-nitro-benzamide Formula: C19H21N6O5+ MolecularWeight: 413.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N\NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O5/c1-22-7-9-23(10-8-22)18-6-5-17(25(29)30)12-15(18)13-20-21-19(26)14-3-2-4-16(11-14)24(27)28/h2-6,11-13H,7-10H2,1H3,(H,21,26)/p+1/b20-13-