ethyl 5-(4-chlorophenyl)-5-oxidanyl-1-(3-phenylpropanoyl)-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-5-oxidanyl-1-(3-phenylpropanoyl)-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(3-phenylpropanoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-5-hydroxy-1-(1-oxo-3-phenylpropyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(3-phenylpropanoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-hydrocinnamoyl-5-hydroxy-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)CCC3=CC=CC=C3

InChI

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