[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)NCCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)NCCC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H15N5O3/c1-11-14(15(22)23-10-13(21)17-9-5-8-16)19-20(18-11)12-6-3-2-4-7-12/h2-4,6-7H,5,9-10H2,1H3,(H,17,21)