dimethyl 1-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[1-methyl-2-(4-methylanilino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[1-(4-methylanilino)-1-oxopropan-2-yl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[1-(4-methylanilino)-1-oxopropan-2-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-keto-1-methyl-2-(p-toluidino)ethyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2C(=C(N=N2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)N2C(=C(N=N2)C(=O)OC)C(=O)OC

InChI

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