ethyl 5-(4-chlorophenyl)-2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-nitrophenoxy)propyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC(COC2=CC=CC=C2[N+](=O)[O-])O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC(COC2=CC=CC=C2[N+](=O)[O-])O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O6/c1-2-30-21(27)19-11-17(14-7-9-15(22)10-8-14)23-24(19)12-16(26)13-31-20-6-4-3-5-18(20)25(28)29/h3-11,16,26H,2,12-13H2,1H3