5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyridyl)pyrazole-3-carboxylic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyridinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyridyl)pyrazole-3-carboxylic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NN3C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NN3C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C17H13N3O4/c21-17(22)12-10-13(20(19-12)16-3-1-2-6-18-16)11-4-5-14-15(9-11)24-8-7-23-14/h1-6,9-10H,7-8H2,(H,21,22)