(2S)-2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: (2S)-2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2S)-2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[6-(2-chloro-1-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2S)-2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[6-(2-chloroacetyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propionate Formula: C15H15ClNO5- MolecularWeight: 324.7363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)(C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)(C)C

InChI

InChI=1S/C15H16ClNO5/c1-8(13(19)20)17-10-6-9(11(18)7-16)4-5-12(10)22-15(2,3)14(17)21/h4-6,8H,7H2,1-3H3,(H,19,20)/p-1/t8-/m0/s1