2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)acetic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)O

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)O

InChI

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