2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenylpyrazole-3-carboxylic acid Traditional Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenyl-pyrazole-3-carboxylic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O6/c23-14(12-28-18-9-5-4-8-16(18)22(26)27)11-21-17(19(24)25)10-15(20-21)13-6-2-1-3-7-13/h1-10,14,23H,11-12H2,(H,24,25)