(2R)-2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid

Systemtic Name: (2R)-2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: (2R)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: (2R)-2-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2R)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: (2R)-2-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)propionic acid Formula: C15H17NO5 MolecularWeight: 291.29918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-3-4-12(17)10-5-6-13-11(7-10)16(9(2)15(19)20)14(18)8-21-13/h5-7,9H,3-4,8H2,1-2H3,(H,19,20)/t9-/m1/s1