N-[(E)-(5-nitro-2-piperidin-1-yl-phenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

Systemtic Name: N-[(E)-(5-nitro-2-piperidin-1-yl-phenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide Openeye Name: N-[(E)-[5-nitro-2-(1-piperidyl)phenyl]methyleneamino]benzo[e]benzofuran-2-carboxamide CAS Name: N-[(E)-[5-nitro-2-(1-piperidinyl)phenyl]methylideneamino]-2-benzo[e]benzofurancarboxamide IUPAC Name: N-[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide Traditional Name: N-[(E)-(5-nitro-2-piperidino-benzylidene)amino]benzo[e]benzofuran-2-carboxamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C25H22N4O4/c30-25(24-15-21-20-7-3-2-6-17(20)8-11-23(21)33-24)27-26-16-18-14-19(29(31)32)9-10-22(18)28-12-4-1-5-13-28/h2-3,6-11,14-16H,1,4-5,12-13H2,(H,27,30)/b26-16+