4-(1,3-benzodioxol-5-yl)-5-[5-ethyl-2,4-bis(oxidanyl)phenyl]-3H-pyrazole-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-[5-ethyl-2,4-bis(oxidanyl)phenyl]-3H-pyrazole-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxy-phenyl)-3H-pyrazole-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-3H-pyrazole-3-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-3H-pyrazole-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxy-phenyl)-3H-pyrazole-3-carboxylic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=C(C(N=N2)C(=O)O)C3=CC4=C(C=C3)OCO4)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=C(C(N=N2)C(=O)O)C3=CC4=C(C=C3)OCO4)O)O

InChI

InChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,18,22-23H,2,8H2,1H3,(H,24,25)