3-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]benzoic acid CAS Name: 3-[5-(1,3-benzodioxol-5-yl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]benzoic acid Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=NN3C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=NN3C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C17H12N2O4/c20-17(21)12-2-1-3-13(8-12)19-14(6-7-18-19)11-4-5-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,20,21)