[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-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-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-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-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(N(N=C2C)CC(C)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(N(N=C2C)CC(C)C)Cl)C

InChI

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