methyl 4-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]-2-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]-2-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]-2-oxo-butanoate CAS Name: 4-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]-2-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-2-oxobutanoate Traditional Name: 4-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]-2-keto-butyric acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)C(=O)OC)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)C(=O)OC)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C21H23N3O4/c1-21(2,3)14-11-13(9-10-18(25)20(27)28-4)12-17(19(14)26)24-22-15-7-5-6-8-16(15)23-24/h5-8,11-12,26H,9-10H2,1-4H3