diethyl 1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: diethyl 1-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: diethyl 1-[2-oxo-2-(p-tolylmethylamino)ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]triazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-keto-2-[(4-methylbenzyl)amino]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)CC(=O)NCC2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC(=O)NCC2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C18H22N4O5/c1-4-26-17(24)15-16(18(25)27-5-2)22(21-20-15)11-14(23)19-10-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)