cyanomethyl (E)-3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)OCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2/C=C/C(=O)OCC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O3/c1-14-7-9-17(25-14)19-15(8-10-18(23)24-12-11-20)13-22(21-19)16-5-3-2-4-6-16/h2-10,13H,12H2,1H3/b10-8+