4-(hydroxymethyl)-5-[2-(methoxymethyl)pyrazol-3-yl]-1,3-benzodioxole-2-carboxylate

Systemtic Name: 4-(hydroxymethyl)-5-[2-(methoxymethyl)pyrazol-3-yl]-1,3-benzodioxole-2-carboxylate Openeye Name: 4-(hydroxymethyl)-5-[2-(methoxymethyl)pyrazol-3-yl]-1,3-benzodioxole-2-carboxylate CAS Name: 4-(hydroxymethyl)-5-[2-(methoxymethyl)-3-pyrazolyl]-1,3-benzodioxole-2-carboxylate IUPAC Name: 4-(hydroxymethyl)-5-[2-(methoxymethyl)pyrazol-3-yl]-1,3-benzodioxole-2-carboxylate Traditional Name: 5-[2-(methoxymethyl)pyrazol-3-yl]-4-methylol-1,3-benzodioxole-2-carboxylate Formula: C14H13N2O6- MolecularWeight: 305.26282

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C(=CC=N1)C2=C(C3=C(C=C2)OC(O3)C(=O)[O-])CO

Isomeric SMILES

COCN1C(=CC=N1)C2=C(C3=C(C=C2)OC(O3)C(=O)[O-])CO

InChI

InChI=1S/C14H14N2O6/c1-20-7-16-10(4-5-15-16)8-2-3-11-12(9(8)6-17)22-14(21-11)13(18)19/h2-5,14,17H,6-7H2,1H3,(H,18,19)/p-1