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

Systemtic Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-(4-hexoxyphenyl)methyl]-2-methoxy-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-(4-hexoxyphenyl)methyl]-N-hydroxy-2-methoxy-cyclohexa-2,5-dien-1-imine oxide CAS Name: 4-[1-benzotriazolyl-(4-dimethylaminophenyl)-(4-hexoxyphenyl)methyl]-N-hydroxy-2-methoxy-1-cyclohexa-2,5-dienimine oxide IUPAC Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-(4-hexoxyphenyl)methyl]-N-hydroxy-2-methoxycyclohexa-2,5-dien-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-(4-dimethylaminophenyl)-(4-hexoxyphenyl)methyl]-N-hydroxy-2-methoxy-cyclohexa-2,5-dien-1-imine oxide Formula: C34H39N5O4 MolecularWeight: 581.70456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(C2C=CC(=[N+](O)[O-])C(=C2)OC)(C3=CC=C(C=C3)N(C)C)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(C2C=C/C(=[N+](\O)/[O-])/C(=C2)OC)(C3=CC=C(C=C3)N(C)C)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C34H39N5O4/c1-5-6-7-10-23-43-29-20-15-26(16-21-29)34(25-13-18-28(19-14-25)37(2)3,38-31-12-9-8-11-30(31)35-36-38)27-17-22-32(39(40)41)33(24-27)42-4/h8-9,11-22,24,27H,5-7,10,23H2,1-4H3,(H,40,41)