dimethyl 1-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[2-(2,6-dimethylanilino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(2,6-dimethylanilino)-2-keto-ethyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H18N4O5/c1-9-6-5-7-10(2)12(9)17-11(21)8-20-14(16(23)25-4)13(18-19-20)15(22)24-3/h5-7H,8H2,1-4H3,(H,17,21)