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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C18H21Cl2N3O3 MolecularWeight: 398.28364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2Cl)Cl

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O3/c1-4-11(2)21-15(24)10-26-18(25)16-12(3)22-23(17(16)20)9-13-7-5-6-8-14(13)19/h5-8,11H,4,9-10H2,1-3H3,(H,21,24)