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

Systemtic Name: 3-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[6-(2-chloro-1-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[6-(2-chloroacetyl)-3-keto-1,4-benzoxazin-4-yl]propionate Formula: C13H11ClNO5- MolecularWeight: 296.68314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC(=O)[O-]

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC(=O)[O-]

InChI

InChI=1S/C13H12ClNO5/c14-6-10(16)8-1-2-11-9(5-8)15(4-3-13(18)19)12(17)7-20-11/h1-2,5H,3-4,6-7H2,(H,18,19)/p-1