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

Systemtic Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C20H15N3O2 MolecularWeight: 329.352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H15N3O2/c1-14-6-5-7-15(10-14)19-17(11-16(12-21)20(24)25)13-23(22-19)18-8-3-2-4-9-18/h2-11,13H,1H3,(H,24,25)/b16-11+