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

Systemtic Name: (E)-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-oxo-but-3-enoic acid CAS Name: (E)-4-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-2-keto-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]but-3-enoic acid Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O4/c1-26-17-10-7-14(8-11-17)19-15(9-12-18(23)20(24)25)13-22(21-19)16-5-3-2-4-6-16/h2-13H,1H3,(H,24,25)/b12-9+