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

Systemtic Name: 1-(3-bromophenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitrophenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitrophenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(3-hydroxy-4-nitro-phenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C22H14BrN3O5 MolecularWeight: 480.26766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC=C3)Br)C4=CC(=C(C=C4)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC=C3)Br)C4=CC(=C(C=C4)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C22H14BrN3O5/c23-15-7-4-8-16(12-15)25-21(13-5-2-1-3-6-13)19(22(28)29)20(24-25)14-9-10-17(26(30)31)18(27)11-14/h1-12,27H,(H,28,29)