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

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-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-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-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-(m-anisylamino)ethyl] ester Formula: C21H19ClFN3O4 MolecularWeight: 431.844663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC(=CC=C2)OC)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC(=CC=C2)OC)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19ClFN3O4/c1-13-19(20(22)26(25-13)16-8-6-15(23)7-9-16)21(28)30-12-18(27)24-11-14-4-3-5-17(10-14)29-2/h3-10H,11-12H2,1-2H3,(H,24,27)