methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxo-ethyl)triazole-4-carboxylate CAS Name: 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate Traditional Name: 1-(2-cyanophenyl)-5-(2-keto-2-methoxy-ethyl)triazole-4-carboxylic acid methyl ester Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N=NN1C2=CC=CC=C2C#N)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(N=NN1C2=CC=CC=C2C#N)C(=O)OC

InChI

InChI=1S/C14H12N4O4/c1-21-12(19)7-11-13(14(20)22-2)16-17-18(11)10-6-4-3-5-9(10)8-15/h3-6H,7H2,1-2H3