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

Systemtic Name: ethyl 5-(4-methoxyphenyl)-2-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylate Openeye Name: ethyl 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 2-[2-hydroxy-3-(2-nitrophenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7/c1-3-31-22(27)20-12-18(15-8-10-17(30-2)11-9-15)23-24(20)13-16(26)14-32-21-7-5-4-6-19(21)25(28)29/h4-12,16,26H,3,13-14H2,1-2H3