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

Systemtic Name: 2-[(2R)-6-(2-chloranylethanoyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[(2R)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[(2R)-6-(2-chloro-1-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[(2R)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[(2R)-6-(2-chloroacetyl)-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetic acid Formula: C13H12ClNO5 MolecularWeight: 297.69108

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO5/c1-7-13(19)15(6-12(17)18)9-4-8(10(16)5-14)2-3-11(9)20-7/h2-4,7H,5-6H2,1H3,(H,17,18)/t7-/m1/s1