(4-tert-butylphenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate Openeye Name: (4-tert-butylphenyl)methyl 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzoxazin-2-yl)acetic acid (4-tert-butylbenzyl) ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C21H23NO4/c1-21(2,3)15-10-8-14(9-11-15)13-25-19(23)12-18-20(24)22-16-6-4-5-7-17(16)26-18/h4-11,18H,12-13H2,1-3H3,(H,22,24)