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

Systemtic Name: 4-[benzotriazol-1-yl-(4-methoxyphenyl)-phenyl-methyl]-3-fluoranyl-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-(4-methoxyphenyl)-phenyl-methyl]-3-fluoro-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide CAS Name: 4-[1-benzotriazolyl-(4-methoxyphenyl)-phenylmethyl]-3-fluoro-N-hydroxy-1-cyclohexa-2,5-dienimine oxide IUPAC Name: 4-[benzotriazol-1-yl-(4-methoxyphenyl)-phenylmethyl]-3-fluoro-N-hydroxycyclohexa-2,5-dien-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-(4-methoxyphenyl)-phenyl-methyl]-3-fluoro-N-hydroxy-cyclohexa-2,5-dien-1-imine oxide Formula: C26H21FN4O3 MolecularWeight: 456.468343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2C=CC(=[N+](O)[O-])C=C2F)(C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2C=C/C(=[N+](/O)\[O-])/C=C2F)(C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H21FN4O3/c1-34-21-14-11-19(12-15-21)26(18-7-3-2-4-8-18,22-16-13-20(31(32)33)17-23(22)27)30-25-10-6-5-9-24(25)28-29-30/h2-17,22H,1H3,(H,32,33)