(2-oxidanylidene-2-phenylazanyl-ethyl) 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2)Cl)CC(C)C

InChI

InChI=1S/C17H20ClN3O3/c1-11(2)9-21-16(18)15(12(3)20-21)17(23)24-10-14(22)19-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,22)