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

Systemtic Name: (2R)-2-[(2R)-6-(2-chloranylethanoyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2R)-2-[(2R)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2R)-2-[(2R)-6-(2-chloro-1-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2R)-2-[(2R)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2R)-2-[(2R)-6-(2-chloroacetyl)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionate Formula: C14H13ClNO5- MolecularWeight: 310.70972

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)C(C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO5/c1-7(14(19)20)16-10-5-9(11(17)6-15)3-4-12(10)21-8(2)13(16)18/h3-5,7-8H,6H2,1-2H3,(H,19,20)/p-1/t7-,8-/m1/s1