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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5/c17-5-1-2-9-7-16(15-13(9)14(18)19)10-3-4-11-12(6-10)21-8-20-11/h3-4,6-7,17H,1-2,5,8H2,(H,18,19)