(2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid

Systemtic Name: (2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: (2S)-2-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)propionic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-7(13(17)18)14-10-5-9(8(2)15)3-4-11(10)19-6-12(14)16/h3-5,7H,6H2,1-2H3,(H,17,18)/t7-/m0/s1