ethyl 1-(1,3-benzodioxol-5-yl)-4-oxidanyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-yl)-4-oxidanyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-yl)-4-hydroxy-pyrazole-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-yl)-4-hydroxypyrazole-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-hydroxy-pyrazole-3-carboxylic acid ethyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=NN(C=C1O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N2O5/c1-2-18-13(17)12-9(16)6-15(14-12)8-3-4-10-11(5-8)20-7-19-10/h3-6,16H,2,7H2,1H3