[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-4-8-12(2)20-15(23)11-25-18(24)16-13(3)21-22(17(16)19)14-9-6-5-7-10-14/h5-7,9-10,12H,4,8,11H2,1-3H3,(H,20,23)