dimethyl 1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(2-anilino-2-oxo-ethyl)triazole-4,5-dicarboxylate CAS Name: 1-(2-anilino-2-oxoethyl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(2-anilino-2-oxoethyl)triazole-4,5-dicarboxylate Traditional Name: 1-(2-anilino-2-keto-ethyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C14H14N4O5 MolecularWeight: 318.28476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H14N4O5/c1-22-13(20)11-12(14(21)23-2)18(17-16-11)8-10(19)15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,19)