(2-benzamido-2-oxidanylidene-ethyl) 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H20N4O4/c1-13-9-10-17(14(2)11-13)25-23-15(3)19(24-25)21(28)29-12-18(26)22-20(27)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,22,26,27)