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

Systemtic Name: (2S)-2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid CAS Name: (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: (2S)-2-[(2S)-6-acetyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]butyric acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-4-11(15(19)20)16-12-7-10(8(2)17)5-6-13(12)21-9(3)14(16)18/h5-7,9,11H,4H2,1-3H3,(H,19,20)/t9-,11-/m0/s1