4-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-(4,5-dimethoxy-2-methylol-phenyl)-3-pyrazolin-3-one Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CO)C2=CNNC2=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CO)C2=CNNC2=O)OC

InChI

InChI=1S/C12H14N2O4/c1-17-10-3-7(6-15)8(4-11(10)18-2)9-5-13-14-12(9)16/h3-5,15H,6H2,1-2H3,(H2,13,14,16)