[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C

InChI

InChI=1S/C15H16N2O4/c1-10(18)6-7-14(19)21-11(2)15(20)17-13-5-3-4-12(8-13)9-16/h3-5,8,11H,6-7H2,1-2H3,(H,17,20)/t11-/m0/s1