[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C20H18N4O3 MolecularWeight: 362.38192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3/c1-2-13-21-17(25)14-27-20(26)18-22-19(15-9-5-3-6-10-15)24(23-18)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,21,25)