[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C)C

InChI

InChI=1S/C21H22N4O3/c1-4-16-9-7-8-14(2)20(16)24-19(26)13-28-21(27)17-12-23-25(15(17)3)18-10-5-6-11-22-18/h5-12H,4,13H2,1-3H3,(H,24,26)