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

Systemtic Name: 1-(3-methylphenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-hydroxy-4-nitro-phenyl)-1-(m-tolyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-hydroxy-4-nitrophenyl)-1-(3-methylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-hydroxy-4-nitrophenyl)-1-(3-methylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3-hydroxy-4-nitro-phenyl)-1-(m-tolyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-3-5-16-18(20(25)26)19(13-8-9-15(23(27)28)17(24)11-13)21-22(16)14-7-4-6-12(2)10-14/h4,6-11,24H,3,5H2,1-2H3,(H,25,26)