[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-[(3R)-5-(4-chlorophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[(3R)-5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-[(5R)-3-(4-chlorophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1COC(=CO1)C(=O)OCC(=O)N2[C@H](CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C20H17ClN2O6/c21-14-5-3-13(4-6-14)15-10-16(17-2-1-7-27-17)23(22-15)19(24)12-29-20(25)18-11-26-8-9-28-18/h1-7,11,16H,8-10,12H2/t16-/m1/s1