ethyl 5-[[(4-cyanophenyl)carbonylamino]methyl]-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 5-[[(4-cyanophenyl)carbonylamino]methyl]-1H-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-[[(4-cyanobenzoyl)amino]methyl]-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-[[[(4-cyanophenyl)-oxomethyl]amino]methyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(4-cyanobenzoyl)amino]methyl]-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-[[(4-cyanobenzoyl)amino]methyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=N1)CNC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=NNC(=N1)CNC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H13N5O3/c1-2-22-14(21)12-17-11(18-19-12)8-16-13(20)10-5-3-9(7-15)4-6-10/h3-6H,2,8H2,1H3,(H,16,20)(H,17,18,19)