[3-[4-(2-cyanoethyl)-5-oxidanylidene-1,3,4-oxadiazin-2-yl]phenyl] benzoate

Systemtic Name: [3-[4-(2-cyanoethyl)-5-oxidanylidene-1,3,4-oxadiazin-2-yl]phenyl] benzoate Openeye Name: [3-[4-(2-cyanoethyl)-5-oxo-1,3,4-oxadiazin-2-yl]phenyl] benzoate CAS Name: benzoic acid [3-[4-(2-cyanoethyl)-5-oxo-1,3,4-oxadiazin-2-yl]phenyl] ester IUPAC Name: [3-[4-(2-cyanoethyl)-5-oxo-1,3,4-oxadiazin-2-yl]phenyl] benzoate Traditional Name: benzoic acid [3-[4-(2-cyanoethyl)-5-keto-1,3,4-oxadiazin-2-yl]phenyl] ester Formula: C19H15N3O4 MolecularWeight: 349.3401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(N=C(O1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)CCC#N

Isomeric SMILES

C1C(=O)N(N=C(O1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C19H15N3O4/c20-10-5-11-22-17(23)13-25-18(21-22)15-8-4-9-16(12-15)26-19(24)14-6-2-1-3-7-14/h1-4,6-9,12H,5,11,13H2