ethyl 3-[[1-(2,5-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(2,5-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(2,5-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2,5-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2,5-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2,5-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N(N=N2)C3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N(N=N2)C3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C21H22N4O3/c1-5-28-21(27)16-7-6-8-17(12-16)22-20(26)19-15(4)25(24-23-19)18-11-13(2)9-10-14(18)3/h6-12H,5H2,1-4H3,(H,22,26)