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

Systemtic Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-phenyl-methyl]-2-chloranyl-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-phenyl-methyl]-2-chloro-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide CAS Name: 4-[1-benzotriazolyl-(4-dimethylaminophenyl)-phenylmethyl]-2-chloro-N-hydroxy-1-cyclohexa-2,5-dienimine oxide IUPAC Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-phenylmethyl]-2-chloro-N-hydroxycyclohexa-2,5-dien-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-phenyl-methyl]-2-chloro-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide Formula: C27H24ClN5O2 MolecularWeight: 485.96476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN5O2/c1-31(2)22-15-12-20(13-16-22)27(19-8-4-3-5-9-19,21-14-17-25(33(34)35)23(28)18-21)32-26-11-7-6-10-24(26)29-30-32/h3-18,21H,1-2H3,(H,34,35)