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

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(4-methoxyanilino)-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-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-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-(p-anisidino)ethyl] ester Formula: C21H19ClFN3O4 MolecularWeight: 431.844663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19ClFN3O4/c1-12-18(19(22)26(25-12)16-8-4-14(23)5-9-16)21(28)30-13(2)20(27)24-15-6-10-17(29-3)11-7-15/h4-11,13H,1-3H3,(H,24,27)