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

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 5-ethyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-ethyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-ethyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C21H21ClN4O3/c1-4-17-15(11-24-26(17)18-7-5-6-8-23-18)21(28)29-12-19(27)25-20-14(3)9-13(2)10-16(20)22/h5-11H,4,12H2,1-3H3,(H,25,27)