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

Systemtic Name: (2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid Openeye Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid CAS Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid IUPAC Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid Traditional Name: (2S)-2-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)butyric acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5/c1-3-10(14(18)19)15-11-6-9(8(2)16)4-5-12(11)20-7-13(15)17/h4-6,10H,3,7H2,1-2H3,(H,18,19)/t10-/m0/s1