5-[2-(ethoxymethyl)pyrazol-3-yl]-4-(hydroxymethyl)-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-[2-(ethoxymethyl)pyrazol-3-yl]-4-(hydroxymethyl)-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[2-(ethoxymethyl)pyrazol-3-yl]-4-(hydroxymethyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[2-(ethoxymethyl)-3-pyrazolyl]-4-(hydroxymethyl)-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[2-(ethoxymethyl)pyrazol-3-yl]-4-(hydroxymethyl)-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[2-(ethoxymethyl)pyrazol-3-yl]-4-methylol-1,3-benzodioxole-2-carboxylic acid Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=CC=N1)C2=C(C3=C(C=C2)OC(O3)C(=O)O)CO

Isomeric SMILES

CCOCN1C(=CC=N1)C2=C(C3=C(C=C2)OC(O3)C(=O)O)CO

InChI

InChI=1S/C15H16N2O6/c1-2-21-8-17-11(5-6-16-17)9-3-4-12-13(10(9)7-18)23-15(22-12)14(19)20/h3-6,15,18H,2,7-8H2,1H3,(H,19,20)