[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H17Cl2N3O3 MolecularWeight: 418.27328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H17Cl2N3O3/c1-13(17-8-5-15(21)11-18(17)22)24-19(26)12-28-20(27)14-3-6-16(7-4-14)25-10-2-9-23-25/h2-11,13H,12H2,1H3,(H,24,26)