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

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C21H20ClN3O3/c1-13-9-10-17(14(2)11-13)23-18(26)12-28-21(27)19-15(3)24-25(20(19)22)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,23,26)