[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C=CC3=CC=C(O3)Br)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)/C=C/C3=CC=C(O3)Br)C

InChI

InChI=1S/C19H17BrN2O3/c1-13-11-14(2)22(21-13)16-5-3-15(4-6-16)12-24-19(23)10-8-17-7-9-18(20)25-17/h3-11H,12H2,1-2H3/b10-8+