(4-bromanyl-2-fluoranyl-phenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H16BrFN2O2 MolecularWeight: 367.212843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H16BrFN2O2/c1-10-14(11(2)20(3)19-10)6-7-16(21)22-9-12-4-5-13(17)8-15(12)18/h4-8H,9H2,1-3H3/b7-6+