3-[(2R)-6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-6-chloro-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid Formula: C12H12ClNO4 MolecularWeight: 269.68098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO4/c1-7-12(17)14(5-4-11(15)16)9-6-8(13)2-3-10(9)18-7/h2-3,6-7H,4-5H2,1H3,(H,15,16)/t7-/m1/s1