(2S)-2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)propanoate

Systemtic Name: (2S)-2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)propanoate Openeye Name: (2S)-2-(3-ethyl-4-oxo-phthalazin-1-yl)propanoate CAS Name: (2S)-2-(3-ethyl-4-oxo-1-phthalazinyl)propanoate IUPAC Name: (2S)-2-(3-ethyl-4-oxophthalazin-1-yl)propanoate Traditional Name: (2S)-2-(3-ethyl-4-keto-phthalazin-1-yl)propionate Formula: C13H13N2O3- MolecularWeight: 245.25392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(C)C(=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)[C@H](C)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-3-15-12(16)10-7-5-4-6-9(10)11(14-15)8(2)13(17)18/h4-8H,3H2,1-2H3,(H,17,18)/p-1/t8-/m0/s1