2-[3-(3H-1,2-benzodioxol-6-yl)-1-phenyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(3H-1,2-benzodioxol-6-yl)-1-phenyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3-(3H-1,2-benzodioxol-6-yl)-1-phenyl-pyrazol-4-yl]acetic acid CAS Name: 2-[3-(3H-1,2-benzodioxol-6-yl)-1-phenyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[3-(3H-1,2-benzodioxol-6-yl)-1-phenylpyrazol-4-yl]acetic acid Traditional Name: 2-[3-(3H-1,2-benzodioxol-6-yl)-1-phenyl-pyrazol-4-yl]acetic acid Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C3=NN(C=C3CC(=O)O)C4=CC=CC=C4)OO1

Isomeric SMILES

C1C2=C(C=C(C=C2)C3=NN(C=C3CC(=O)O)C4=CC=CC=C4)OO1

InChI

InChI=1S/C18H14N2O4/c21-17(22)9-14-10-20(15-4-2-1-3-5-15)19-18(14)12-6-7-13-11-23-24-16(13)8-12/h1-8,10H,9,11H2,(H,21,22)