3-nitro-N-[(E)-(5-nitro-2-piperazin-1-yl-phenyl)methylideneamino]benzamide

Systemtic Name: 3-nitro-N-[(E)-(5-nitro-2-piperazin-1-yl-phenyl)methylideneamino]benzamide Openeye Name: 3-nitro-N-[(E)-(5-nitro-2-piperazin-1-yl-phenyl)methyleneamino]benzamide CAS Name: 3-nitro-N-[(E)-[5-nitro-2-(1-piperazinyl)phenyl]methylideneamino]benzamide IUPAC Name: 3-nitro-N-[(E)-(5-nitro-2-piperazin-1-ylphenyl)methylideneamino]benzamide Traditional Name: 3-nitro-N-[(E)-(5-nitro-2-piperazino-benzylidene)amino]benzamide Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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