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

Systemtic Name: (2S)-2-[(2S)-2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-3-keto-2,6-dimethyl-1,4-benzoxazin-4-yl]butyrate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-4-10(14(17)18)15-11-7-8(2)5-6-12(11)19-9(3)13(15)16/h5-7,9-10H,4H2,1-3H3,(H,17,18)/p-1/t9-,10-/m0/s1