(2S)-2-[(2S)-6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: (2S)-2-[(2S)-6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-chloro-3-keto-2-methyl-1,4-benzoxazin-4-yl]butyrate Formula: C13H13ClNO4- MolecularWeight: 282.69962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=CC(=C2)Cl)OC(C1=O)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)C

InChI

InChI=1S/C13H14ClNO4/c1-3-9(13(17)18)15-10-6-8(14)4-5-11(10)19-7(2)12(15)16/h4-7,9H,3H2,1-2H3,(H,17,18)/p-1/t7-,9-/m0/s1