ethyl 2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-5-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-5-phenyl-pyrazole-3-carboxylate CAS Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-phenylpyrazole-3-carboxylate Traditional Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-5-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC(COC2=CC=C(C=C2)Cl)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC(COC2=CC=C(C=C2)Cl)O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4/c1-2-27-21(26)20-12-19(15-6-4-3-5-7-15)23-24(20)13-17(25)14-28-18-10-8-16(22)9-11-18/h3-12,17,25H,2,13-14H2,1H3