2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: 2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: 2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)acetate Formula: C14H14NO5- MolecularWeight: 276.26466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)[O-]

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)[O-]

InChI

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