4-[[4-[(2R)-2-cyano-3-ethoxy-3-oxidanylidene-propanoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(2R)-2-cyano-3-ethoxy-3-oxidanylidene-propanoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2R)-2-cyano-3-ethoxy-3-oxo-propanoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(2R)-2-cyano-3-ethoxy-1,3-dioxopropyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2R)-2-cyano-3-ethoxy-3-oxopropanoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(2R)-2-cyano-3-ethoxy-3-keto-propanoyl]anilino]-4-keto-butyric acid Formula: C16H16N2O6 MolecularWeight: 332.30804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H16N2O6/c1-2-24-16(23)12(9-17)15(22)10-3-5-11(6-4-10)18-13(19)7-8-14(20)21/h3-6,12H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1