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

Systemtic Name: (2R)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Openeye Name: (2R)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate CAS Name: (2R)-2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2R)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2R)-2-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)propionate Formula: C14H14NO5- MolecularWeight: 276.26466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5/c1-3-11(16)9-4-5-12-10(6-9)15(8(2)14(18)19)13(17)7-20-12/h4-6,8H,3,7H2,1-2H3,(H,18,19)/p-1/t8-/m1/s1