(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H23N3O4/c1-14(28-16-11-9-15(10-12-16)21(2,3)4)20(26)27-13-24-19(25)17-7-5-6-8-18(17)22-23-24/h5-12,14H,13H2,1-4H3/t14-/m1/s1