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

Systemtic Name: 2-[(2R)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[(2R)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[(2R)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO5/c1-8(2)14-15(21)17(7-13(19)20)10-5-9(11(18)6-16)3-4-12(10)22-14/h3-5,8,14H,6-7H2,1-2H3,(H,19,20)/t14-/m1/s1