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

Systemtic Name: ethyl 5-[2-[(4-cyanophenyl)carbonylamino]ethyl]-1H-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-[2-[(4-cyanobenzoyl)amino]ethyl]-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-[2-[[(4-cyanophenyl)-oxomethyl]amino]ethyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(4-cyanobenzoyl)amino]ethyl]-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-[2-[(4-cyanobenzoyl)amino]ethyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3/c1-2-23-15(22)13-18-12(19-20-13)7-8-17-14(21)11-5-3-10(9-16)4-6-11/h3-6H,2,7-8H2,1H3,(H,17,21)(H,18,19,20)