(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H18ClFN2O4 MolecularWeight: 428.840723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=C3C(=CC(=C2)F)COCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=C3C(=CC(=C2)F)COCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClFN2O4/c1-14-19(22(23)26(25-14)18-5-3-2-4-6-18)7-8-20(27)29-12-16-10-17(24)9-15-11-28-13-30-21(15)16/h2-10H,11-13H2,1H3/b8-7+