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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC(=O)[O-])C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC(=O)[O-])C

InChI

InChI=1S/C15H16ClNO5/c1-15(2)14(21)17(6-5-13(19)20)10-7-9(11(18)8-16)3-4-12(10)22-15/h3-4,7H,5-6,8H2,1-2H3,(H,19,20)/p-1