(3E)-N-[4-[2-[2,5-bis(oxidanyl)phenyl]ethyl]phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)hydrazinylidene]-6-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: (3E)-N-[4-[2-[2,5-bis(oxidanyl)phenyl]ethyl]phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)hydrazinylidene]-6-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: (3E)-N-[4-[2-(2,5-dihydroxyphenyl)ethyl]phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)hydrazono]-6-nitro-4-oxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: (3E)-N-[4-[2-(2,5-dihydroxyphenyl)ethyl]phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)hydrazinylidene]-6-nitro-4-oxo-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: (3E)-N-[4-[2-(2,5-dihydroxyphenyl)ethyl]phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)hydrazinylidene]-6-nitro-4-oxocyclohexa-1,5-diene-1-carboxamide Traditional Name: (3E)-N-[4-[2-(2,5-dihydroxyphenyl)ethyl]phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)hydrazono]-4-keto-6-nitro-cyclohexa-1,5-diene-1-carboxamide Formula: C36H28N6O6 MolecularWeight: 640.64412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)NN=C3C=C(C(=CC3=O)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)CCC5=C(C=CC(=C5)O)O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)N/N=C/3\C=C(C(=CC3=O)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)CCC5=C(C=CC(=C5)O)O)C6=CC=CC=C6

InChI

InChI=1S/C36H28N6O6/c43-27-17-18-31(44)25(19-27)14-11-22-12-15-26(16-13-22)37-35(46)28-20-29(32(45)21-30(28)42(47)48)40-41-36-38-33(23-7-3-1-4-8-23)34(39-36)24-9-5-2-6-10-24/h1-10,12-13,15-21,43-44H,11,14H2,(H,37,46)(H2,38,39,41)/b40-29+