[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H17ClFN3O3/c21-17-10-15(22)7-8-18(17)24-19(26)13-28-20(27)9-6-14-11-23-25(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2,(H,24,26)