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

Systemtic Name: 3-[(2R)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2R)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionate Formula: C16H17ClNO5- MolecularWeight: 338.76288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO5/c1-9(2)15-16(22)18(6-5-14(20)21)11-7-10(12(19)8-17)3-4-13(11)23-15/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,20,21)/p-1/t15-/m1/s1