[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H19ClFN3O3/c1-3-14-5-4-6-16(11-14)24-18(27)12-29-21(28)19-13(2)25-26(20(19)22)17-9-7-15(23)8-10-17/h4-11H,3,12H2,1-2H3,(H,24,27)