methyl 3-[3-(6-bromanyl-1-oxidanidyl-benzotriazol-1-ium-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate

Systemtic Name: methyl 3-[3-(6-bromanyl-1-oxidanidyl-benzotriazol-1-ium-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate Openeye Name: methyl 3-[3-(6-bromo-1-oxido-benzotriazol-1-ium-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoate CAS Name: 3-[3-(6-bromo-1-oxido-2-benzotriazol-1-iumyl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(6-bromo-1-oxidobenzotriazol-1-ium-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate Traditional Name: 3-[3-(6-bromo-1-oxido-benzotriazol-1-ium-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propionic acid methyl ester Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC(=CC3=[N+]2[O-])Br)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC(=CC3=[N+]2[O-])Br)O

InChI

InChI=1S/C20H22BrN3O4/c1-20(2,3)14-9-12(5-8-18(25)28-4)10-17(19(14)26)23-22-15-7-6-13(21)11-16(15)24(23)27/h6-7,9-11,26H,5,8H2,1-4H3