[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(2-ethoxyanilino)-1-methyl-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 [1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C22H21ClFN3O4 MolecularWeight: 445.871243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C22H21ClFN3O4/c1-4-30-18-8-6-5-7-17(18)25-21(28)14(3)31-22(29)19-13(2)26-27(20(19)23)16-11-9-15(24)10-12-16/h5-12,14H,4H2,1-3H3,(H,25,28)