(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C20H18N4O4/c1-12-15(13(2)22-20(26)16(12)10-21)8-9-18(25)27-11-17-23-19(24-28-17)14-6-4-3-5-7-14/h3-7H,8-9,11H2,1-2H3,(H,22,26)