[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxylate CAS Name: 1-(3-chlorophenyl)-5-(2-furanyl)-3-pyrazolecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O4/c1-13(2)11-22-19(25)12-28-20(26)16-10-17(18-7-4-8-27-18)24(23-16)15-6-3-5-14(21)9-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)