(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-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=C4C(=CC(=C3)Cl)COCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)C5=CC=CC=C5

InChI

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