(2S)-6-(2-chloranylethanoyl)-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-(2-chloranylethanoyl)-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Openeye Name: (2S)-6-(2-chloroacetyl)-4-isopentyl-2-methyl-1,4-benzoxazin-3-one CAS Name: (2S)-6-(2-chloro-1-oxoethyl)-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-(2-chloroacetyl)-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Traditional Name: (2S)-6-(2-chloroacetyl)-4-isoamyl-2-methyl-1,4-benzoxazin-3-one Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC(C)C

InChI

InChI=1S/C16H20ClNO3/c1-10(2)6-7-18-13-8-12(14(19)9-17)4-5-15(13)21-11(3)16(18)20/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m0/s1