1-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C=C(C(=N3)C(=O)O)CCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C=C(C(=N3)C(=O)O)CCO

InChI

InChI=1S/C13H12N2O5/c16-4-3-8-6-15(14-12(8)13(17)18)9-1-2-10-11(5-9)20-7-19-10/h1-2,5-6,16H,3-4,7H2,(H,17,18)