[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)N2CCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)N2CCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O3/c1-12-15(16(19)22(20-12)14-8-4-3-5-9-14)18(24)25-13(2)17(23)21-10-6-7-11-21/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t13-/m1/s1