5-(4-chlorophenyl)-2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]pyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]pyrazole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]pyrazole-3-carboxylic acid Formula: C19H16ClN3O6 MolecularWeight: 417.79984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)O

InChI

InChI=1S/C19H16ClN3O6/c20-13-7-5-12(6-8-13)15-9-17(19(25)26)22(21-15)10-14(24)11-29-18-4-2-1-3-16(18)23(27)28/h1-9,14,24H,10-11H2,(H,25,26)