ethyl 3-oxidanylidene-2-(2,4,6-trimethylphenyl)-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 3-oxidanylidene-2-(2,4,6-trimethylphenyl)-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 3-oxo-2-(2,4,6-trimethylphenyl)-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-oxo-2-(2,4,6-trimethylphenyl)-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-oxo-2-(2,4,6-trimethylphenyl)-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-keto-2-mesityl-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)N(N1)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=NC(=O)N(N1)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C14H17N3O3/c1-5-20-13(18)12-15-14(19)17(16-12)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3,(H,15,16,19)