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

Systemtic Name: 1-(3-bromophenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitrophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitrophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C19H16BrN3O5 MolecularWeight: 446.25144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O5/c1-2-4-15-17(19(25)26)18(11-7-8-14(23(27)28)16(24)9-11)21-22(15)13-6-3-5-12(20)10-13/h3,5-10,24H,2,4H2,1H3,(H,25,26)