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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-(3-hydroxy-4-nitrophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-(3-hydroxy-4-nitrophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-4-5-17-19(21(26)27)20(14-7-9-16(24(28)29)18(25)11-14)22-23(17)15-8-6-12(2)13(3)10-15/h6-11,25H,4-5H2,1-3H3,(H,26,27)