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

Systemtic Name: 3-(4-nitro-3-oxidanyl-phenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-hydroxy-4-nitro-phenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-hydroxy-4-nitrophenyl)-1-phenyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-hydroxy-4-nitrophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3-hydroxy-4-nitro-phenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-2-6-15-17(19(24)25)18(20-21(15)13-7-4-3-5-8-13)12-9-10-14(22(26)27)16(23)11-12/h3-5,7-11,23H,2,6H2,1H3,(H,24,25)