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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-1-ethyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 4-chloro-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-ethyl-3-pyrazolecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-chloro-1-ethylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-ethyl-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:

CCN1C=C(C(=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C)Cl

InChI

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