5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-7-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid Formula: C20H13N3O4 MolecularWeight: 359.33492

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=NN4C(=C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=NN4C(=C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C20H13N3O4/c24-20(25)16-9-15(13-6-7-17-18(8-13)27-11-26-17)22-19-14(10-21-23(16)19)12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)