[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C20H17N5O4/c1-13(20(27)23-15-7-3-2-6-14(15)12-21)28-18(26)10-9-17-24-19(25-29-17)16-8-4-5-11-22-16/h2-8,11,13H,9-10H2,1H3,(H,23,27)