(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H19ClN2O4/c23-17-10-14(11-20-21(17)28-9-8-27-20)13-29-22(26)19-12-18(15-6-7-15)24-25(19)16-4-2-1-3-5-16/h1-5,10-12,15H,6-9,13H2