(E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=C(C#N)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H15N3O3/c1-26-18-10-6-5-9-17(18)19-15(11-14(12-21)20(24)25)13-23(22-19)16-7-3-2-4-8-16/h2-11,13H,1H3,(H,24,25)/b14-11+