(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O3/c1-25(2)18-10-8-15(9-11-18)12-17(13-22)21(26)27-14-19-23-20(24-28-19)16-6-4-3-5-7-16/h3-12H,14H2,1-2H3/b17-12+