ethyl 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,6-dimethylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-(2,6-dimethylphenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetic acid ethyl ester Formula: C15H19N3O3 MolecularWeight: 289.32966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C(=N1)C)C2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C(=N1)C)C2=C(C=CC=C2C)C

InChI

InChI=1S/C15H19N3O3/c1-5-21-13(19)9-17-15(20)18(12(4)16-17)14-10(2)7-6-8-11(14)3/h6-8H,5,9H2,1-4H3