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

Systemtic Name: 1-(4-bromophenyl)-3-(3-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-3-(3-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-3-(3-nitrophenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-3-(3-nitrophenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-3-(3-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C22H14BrN3O4 MolecularWeight: 464.26826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14BrN3O4/c23-16-9-11-17(12-10-16)25-21(14-5-2-1-3-6-14)19(22(27)28)20(24-25)15-7-4-8-18(13-15)26(29)30/h1-13H,(H,27,28)