(E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]acrylate Formula: C16H10FN4O2- MolecularWeight: 309.274603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=C(C#N)C(=O)[O-])CCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)[O-])CCC#N)F

InChI

InChI=1S/C16H11FN4O2/c17-14-4-2-11(3-5-14)15-13(8-12(9-19)16(22)23)10-21(20-15)7-1-6-18/h2-5,8,10H,1,7H2,(H,22,23)/p-1/b12-8+