1-(4-methoxyphenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-hydroxy-4-nitro-phenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-hydroxy-4-nitrophenyl)-1-(4-methoxyphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-hydroxy-4-nitrophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3-hydroxy-4-nitro-phenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C20H19N3O6/c1-3-4-16-18(20(25)26)19(12-5-10-15(23(27)28)17(24)11-12)21-22(16)13-6-8-14(29-2)9-7-13/h5-11,24H,3-4H2,1-2H3,(H,25,26)