2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid

Systemtic Name: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid Openeye Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid IUPAC Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid Traditional Name: 2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)butyric acid Formula: C12H12ClNO4 MolecularWeight: 269.68098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C12H12ClNO4/c1-2-8(12(16)17)14-9-5-7(13)3-4-10(9)18-6-11(14)15/h3-5,8H,2,6H2,1H3,(H,16,17)