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

Systemtic Name: ethyl 2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]-5-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenyl-pyrazole-3-carboxylate CAS Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenylpyrazole-3-carboxylate Traditional Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-2-29-21(26)19-12-17(15-8-4-3-5-9-15)22-23(19)13-16(25)14-30-20-11-7-6-10-18(20)24(27)28/h3-12,16,25H,2,13-14H2,1H3