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

Systemtic Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-2-methoxy-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-hydroxy-2-methoxy-cyclohexa-2,5-dien-1-imine oxide CAS Name: 4-[1-benzotriazolyl-(4-chlorophenyl)-phenylmethyl]-N-hydroxy-2-methoxy-1-cyclohexa-2,5-dienimine oxide IUPAC Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenylmethyl]-N-hydroxy-2-methoxycyclohexa-2,5-dien-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-hydroxy-2-methoxy-cyclohexa-2,5-dien-1-imine oxide Formula: C26H21ClN4O3 MolecularWeight: 472.92294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C=CC1=[N+](O)[O-])C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC\1=CC(C=C/C1=[N+](\O)/[O-])C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H21ClN4O3/c1-34-25-17-20(13-16-24(25)31(32)33)26(18-7-3-2-4-8-18,19-11-14-21(27)15-12-19)30-23-10-6-5-9-22(23)28-29-30/h2-17,20H,1H3,(H,32,33)