2-(3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)ethanoate

Systemtic Name: 2-(3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)ethanoate Openeye Name: 2-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)acetate CAS Name: 2-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)acetate IUPAC Name: 2-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)acetate Traditional Name: 2-(4-isopropyl-3-keto-1,4-benzoxazin-6-yl)acetate Formula: C13H14NO4- MolecularWeight: 248.25456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)COC2=C1C=C(C=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)COC2=C1C=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-8(2)14-10-5-9(6-13(16)17)3-4-11(10)18-7-12(14)15/h3-5,8H,6-7H2,1-2H3,(H,16,17)/p-1