(phenylmethyl) 1-(3-chloranyl-2-oxidanyl-propyl)-5-methyl-3-oxidanylidene-2-phenyl-pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(3-chloranyl-2-oxidanyl-propyl)-5-methyl-3-oxidanylidene-2-phenyl-pyrazole-4-carboxylate Openeye Name: benzyl 1-(3-chloro-2-hydroxy-propyl)-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxylate CAS Name: 1-(3-chloro-2-hydroxypropyl)-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3-chloro-2-hydroxypropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylate Traditional Name: 1-(3-chloro-2-hydroxy-propyl)-3-keto-5-methyl-2-phenyl-3-pyrazoline-4-carboxylic acid benzyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC(CCl)O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1CC(CCl)O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4/c1-15-19(21(27)28-14-16-8-4-2-5-9-16)20(26)24(17-10-6-3-7-11-17)23(15)13-18(25)12-22/h2-11,18,25H,12-14H2,1H3