methyl 3-[4-[4-(4-cyanophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[4-(4-cyanophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[4-(4-cyanophenyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-cyanophenyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-cyanophenyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-cyanophenyl)-5-keto-1,2,4-triazol-1-yl]phenyl]propionic acid methyl ester Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16N4O3/c1-26-18(24)11-6-14-2-9-17(10-3-14)23-19(25)22(13-21-23)16-7-4-15(12-20)5-8-16/h2-5,7-10,13H,6,11H2,1H3