3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O4/c23-19(24)9-7-15-13-22(16-4-2-1-3-5-16)21-20(15)14-6-8-17-18(12-14)26-11-10-25-17/h1-9,12-13H,10-11H2,(H,23,24)