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

Systemtic Name: [2-[(2-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-[(2-methoxybenzoyl)amino]-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-[[(2-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxybenzoyl)amino]-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-keto-2-(o-anisoylamino)ethyl] ester Formula: C21H17ClFN3O5 MolecularWeight: 445.828183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17ClFN3O5/c1-12-18(19(22)26(25-12)14-9-7-13(23)8-10-14)21(29)31-11-17(27)24-20(28)15-5-3-4-6-16(15)30-2/h3-10H,11H2,1-2H3,(H,24,27,28)