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

Systemtic Name: 5-(4-methoxyphenyl)-2-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H19N3O7/c1-29-16-6-2-13(3-7-16)18-10-19(20(25)26)22(21-18)11-15(24)12-30-17-8-4-14(5-9-17)23(27)28/h2-10,15,24H,11-12H2,1H3,(H,25,26)