[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C20H25ClN4O4/c1-12-17(13(2)25(24-12)10-14-8-6-7-9-15(14)21)18(27)29-11-16(26)22-19(28)23-20(3,4)5/h6-9H,10-11H2,1-5H3,(H2,22,23,26,28)