ethyl 3-[4-[2-(4-cyanophenyl)-5-ethyl-4-oxidanidyl-3H-1,2,4-triazol-4-ium-4-yl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[2-(4-cyanophenyl)-5-ethyl-4-oxidanidyl-3H-1,2,4-triazol-4-ium-4-yl]phenyl]propanoate Openeye Name: ethyl 3-[4-[2-(4-cyanophenyl)-5-ethyl-4-oxido-3H-1,2,4-triazol-4-ium-4-yl]phenyl]propanoate CAS Name: 3-[4-[2-(4-cyanophenyl)-5-ethyl-4-oxido-3H-1,2,4-triazol-4-ium-4-yl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4-cyanophenyl)-5-ethyl-4-oxido-3H-1,2,4-triazol-4-ium-4-yl]phenyl]propanoate Traditional Name: 3-[4-[2-(4-cyanophenyl)-5-ethyl-4-oxido-3H-1,2,4-triazol-4-ium-4-yl]phenyl]propionic acid ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C[N+]1(C2=CC=C(C=C2)CCC(=O)OCC)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=NN(C[N+]1(C2=CC=C(C=C2)CCC(=O)OCC)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4O3/c1-3-21-24-25(19-10-5-18(15-23)6-11-19)16-26(21,28)20-12-7-17(8-13-20)9-14-22(27)29-4-2/h5-8,10-13H,3-4,9,14,16H2,1-2H3