(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C19H14BrN3O3 MolecularWeight: 412.23676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C=CC2=CC=C(O2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)/C=C/C2=CC=C(O2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H14BrN3O3/c1-13-16(11-21)17(23(22-13)14-5-3-2-4-6-14)12-25-19(24)10-8-15-7-9-18(20)26-15/h2-10H,12H2,1H3/b10-8+