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

Systemtic Name: diethyl 1-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)NC2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)NC2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C18H22N4O5/c1-5-26-17(24)14-15(18(25)27-6-2)22(21-20-14)12(4)16(23)19-13-9-7-11(3)8-10-13/h7-10,12H,5-6H2,1-4H3,(H,19,23)