[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-1,5-dimethyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-1,5-dimethyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 4-chloro-1,5-dimethyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1,5-dimethyl-3-pyrazolecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-chloro-1,5-dimethylpyrazole-3-carboxylate Traditional Name: 4-chloro-1,5-dimethyl-pyrazole-3-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NN(C(=C2Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NN(C(=C2Cl)C)C

InChI

InChI=1S/C16H18ClN3O3/c1-10-4-6-12(7-5-10)8-18-13(21)9-23-16(22)15-14(17)11(2)20(3)19-15/h4-7H,8-9H2,1-3H3,(H,18,21)