[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C22H22ClN3O3/c1-4-16-7-5-6-8-19(16)24-20(27)13-29-22(28)17-9-11-18(12-10-17)26-15(3)21(23)14(2)25-26/h5-12H,4,13H2,1-3H3,(H,24,27)