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

Systemtic Name: 3-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: 3-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 3-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(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(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)O

InChI

InChI=1S/C13H13NO5/c1-8(15)9-2-3-11-10(6-9)14(5-4-13(17)18)12(16)7-19-11/h2-3,6H,4-5,7H2,1H3,(H,17,18)