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

Systemtic Name: 4-[benzotriazol-1-yl-(4-methylphenyl)-phenyl-methyl]-2-bromanyl-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-phenyl-(p-tolyl)methyl]-2-bromo-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide CAS Name: 4-[1-benzotriazolyl-(4-methylphenyl)-phenylmethyl]-2-bromo-N-hydroxy-1-cyclohexa-2,5-dienimine oxide IUPAC Name: 4-[benzotriazol-1-yl-(4-methylphenyl)-phenylmethyl]-2-bromo-N-hydroxycyclohexa-2,5-dien-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-phenyl-(p-tolyl)methyl]-2-bromo-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide Formula: C26H21BrN4O2 MolecularWeight: 501.37454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2C=CC(=[N+](O)[O-])C(=C2)Br)(C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2C=C/C(=[N+](\O)/[O-])/C(=C2)Br)(C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H21BrN4O2/c1-18-11-13-20(14-12-18)26(19-7-3-2-4-8-19,21-15-16-24(31(32)33)22(27)17-21)30-25-10-6-5-9-23(25)28-29-30/h2-17,21H,1H3,(H,32,33)