4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-3-methoxy-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide

Systemtic Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-3-methoxy-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-hydroxy-3-methoxy-cyclohexa-2,5-dien-1-imine oxide CAS Name: 4-[1-benzotriazolyl-(4-chlorophenyl)-phenylmethyl]-N-hydroxy-3-methoxy-1-cyclohexa-2,5-dienimine oxide IUPAC Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenylmethyl]-N-hydroxy-3-methoxycyclohexa-2,5-dien-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-hydroxy-3-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(=[N+](O)[O-])C=CC1C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=C/C(=[N+](\O)/[O-])/C=CC1C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

InChI

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