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

Systemtic Name: (2S)-2-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate Openeye Name: (2S)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoate IUPAC Name: (2S)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butyrate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-3-9(13(16)17)14-10-6-8(2)4-5-11(10)18-7-12(14)15/h4-6,9H,3,7H2,1-2H3,(H,16,17)/p-1/t9-/m0/s1