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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

Isomeric SMILES

CC[C@@H](C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

InChI

InChI=1S/C14H14ClNO5/c1-2-9(14(19)20)16-10-5-8(11(17)6-15)3-4-12(10)21-7-13(16)18/h3-5,9H,2,6-7H2,1H3,(H,19,20)/t9-/m0/s1