ethanoic acid; 4-nitro-N-[(5-nitro-2-piperazin-1-yl-phenyl)methylideneamino]benzamide

Systemtic Name: ethanoic acid; 4-nitro-N-[(5-nitro-2-piperazin-1-yl-phenyl)methylideneamino]benzamide Openeye Name: acetic acid; 4-nitro-N-[(5-nitro-2-piperazin-1-yl-phenyl)methyleneamino]benzamide CAS Name: acetic acid; 4-nitro-N-[[5-nitro-2-(1-piperazinyl)phenyl]methylideneamino]benzamide IUPAC Name: acetic acid; 4-nitro-N-[(5-nitro-2-piperazin-1-ylphenyl)methylideneamino]benzamide Traditional Name: acetic acid; 4-nitro-N-[(5-nitro-2-piperazino-benzylidene)amino]benzamide Formula: C20H22N6O7 MolecularWeight: 458.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O5.C2H4O2/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;1-2(3)4/h1-6,11-12,19H,7-10H2,(H,21,25);1H3,(H,3,4)