(2R)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2R)-2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2R)-2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-5-6-13(19)11-7-8-14-12(9-11)18(10(2)15(20)21)16(22)17(3,4)23-14/h7-10H,5-6H2,1-4H3,(H,20,21)/p-1/t10-/m1/s1