6-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one CAS Name: 6-(3-methyl-1-oxobutyl)-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-isovaleryl-4H-1,4-benzoxazin-3-one Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

CC(C)CC(=O)C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C13H15NO3/c1-8(2)5-11(15)9-3-4-12-10(6-9)14-13(16)7-17-12/h3-4,6,8H,5,7H2,1-2H3,(H,14,16)