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

Systemtic Name: 4-nitro-N-[(Z)-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)methylideneamino]benzamide Openeye Name: 4-nitro-N-[(Z)-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)methyleneamino]benzamide CAS Name: 4-nitro-N-[(Z)-[5-nitro-2-(1-piperazin-4-iumyl)phenyl]methylideneamino]benzamide IUPAC Name: 4-nitro-N-[(Z)-(5-nitro-2-piperazin-4-ium-1-ylphenyl)methylideneamino]benzamide Traditional Name: 4-nitro-N-[(Z)-(5-nitro-2-piperazin-4-ium-1-yl-benzylidene)amino]benzamide Formula: C18H19N6O5+ MolecularWeight: 399.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c25-18(13-1-3-15(4-2-13)23(26)27)21-20-12-14-11-16(24(28)29)5-6-17(14)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2,(H,21,25)/p+1/b20-12-