4-[(2R)-2-ethyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2R)-2-ethyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-2-ethyl-3-keto-4H-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C14H14NO5- MolecularWeight: 276.26466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H15NO5/c1-2-11-14(19)15-9-7-8(3-5-12(9)20-11)10(16)4-6-13(17)18/h3,5,7,11H,2,4,6H2,1H3,(H,15,19)(H,17,18)/p-1/t11-/m1/s1