1-(1,3-benzodioxol-5-yloxymethyl)-4-chloranyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-chloranyl-pyrazole-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-chloro-pyrazole-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-chloro-3-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-chloropyrazole-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-chloro-pyrazole-3-carboxylic acid Formula: C12H9ClN2O5 MolecularWeight: 296.66326

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCN3C=C(C(=N3)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCN3C=C(C(=N3)C(=O)O)Cl

InChI

InChI=1S/C12H9ClN2O5/c13-8-4-15(14-11(8)12(16)17)5-18-7-1-2-9-10(3-7)20-6-19-9/h1-4H,5-6H2,(H,16,17)