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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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