(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H21ClN2O4/c1-14-20(15(2)25(24-14)19-6-4-3-5-7-19)10-21(26)28-12-17-9-18(23)8-16-11-27-13-29-22(16)17/h3-9H,10-13H2,1-2H3