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

Systemtic Name: 2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-(2-chloro-1-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-(2-chloroacetyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]acetic acid Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC(=O)O)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC(=O)O)C

InChI

InChI=1S/C14H14ClNO5/c1-14(2)13(20)16(7-12(18)19)9-5-8(10(17)6-15)3-4-11(9)21-14/h3-5H,6-7H2,1-2H3,(H,18,19)