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

Systemtic Name: (2S)-2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate Openeye Name: (2S)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)butyrate Formula: C16H18NO5- MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2C(CC)C(=O)[O-]

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2[C@@H](CC)C(=O)[O-]

InChI

InChI=1S/C16H19NO5/c1-3-5-13(18)10-6-7-14-12(8-10)17(15(19)9-22-14)11(4-2)16(20)21/h6-8,11H,3-5,9H2,1-2H3,(H,20,21)/p-1/t11-/m0/s1