6-bromanyl-7-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-bromanyl-7-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-bromo-7-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one CAS Name: 6-bromo-7-(3-methyl-1-oxobutyl)-4H-1,4-benzoxazin-3-one IUPAC Name: 6-bromo-7-(3-methylbutanoyl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-bromo-7-isovaleryl-4H-1,4-benzoxazin-3-one Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC2=C(C=C1Br)NC(=O)CO2

Isomeric SMILES

CC(C)CC(=O)C1=CC2=C(C=C1Br)NC(=O)CO2

InChI

InChI=1S/C13H14BrNO3/c1-7(2)3-11(16)8-4-12-10(5-9(8)14)15-13(17)6-18-12/h4-5,7H,3,6H2,1-2H3,(H,15,17)