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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2CC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)NC2CC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H18ClN3O3/c1-10-14(15(18)21(20-10)13-6-4-3-5-7-13)17(23)24-11(2)16(22)19-12-8-9-12/h3-7,11-12H,8-9H2,1-2H3,(H,19,22)/t11-/m1/s1