[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-keto-ethyl] ester Formula: C23H20ClN3O6 MolecularWeight: 469.8744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2COC3=CC=CC=C3O2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2COC3=CC=CC=C3O2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3O6/c1-14-20(21(24)27(26-14)11-15-7-3-2-4-8-15)23(30)32-13-19(28)25-22(29)18-12-31-16-9-5-6-10-17(16)33-18/h2-10,18H,11-13H2,1H3,(H,25,28,29)