4-[benzotriazol-1-yl-phenyl-(4-phenylphenyl)methyl]-2-bromanyl-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide

Systemtic Name: 4-[benzotriazol-1-yl-phenyl-(4-phenylphenyl)methyl]-2-bromanyl-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-phenyl-(4-phenylphenyl)methyl]-2-bromo-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide CAS Name: 4-[1-benzotriazolyl-phenyl-(4-phenylphenyl)methyl]-2-bromo-N-hydroxy-1-cyclohexa-2,5-dienimine oxide IUPAC Name: 4-[benzotriazol-1-yl-phenyl-(4-phenylphenyl)methyl]-2-bromo-N-hydroxycyclohexa-2,5-dien-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-phenyl-(4-phenylphenyl)methyl]-2-bromo-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide Formula: C31H23BrN4O2 MolecularWeight: 563.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3C=CC(=[N+](O)[O-])C(=C3)Br)(C4=CC=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3C=C/C(=[N+](\O)/[O-])/C(=C3)Br)(C4=CC=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H23BrN4O2/c32-27-21-26(19-20-29(27)36(37)38)31(24-11-5-2-6-12-24,35-30-14-8-7-13-28(30)33-34-35)25-17-15-23(16-18-25)22-9-3-1-4-10-22/h1-21,26H,(H,37,38)