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

Systemtic Name: 3-(4-nitro-3-oxidanyl-phenyl)-1,5-diphenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-hydroxy-4-nitro-phenyl)-1,5-diphenyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-hydroxy-4-nitrophenyl)-1,5-diphenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-hydroxy-4-nitrophenyl)-1,5-diphenylpyrazole-4-carboxylic acid Traditional Name: 3-(3-hydroxy-4-nitro-phenyl)-1,5-diphenyl-pyrazole-4-carboxylic acid Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H15N3O5/c26-18-13-15(11-12-17(18)25(29)30)20-19(22(27)28)21(14-7-3-1-4-8-14)24(23-20)16-9-5-2-6-10-16/h1-13,26H,(H,27,28)