[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-14-9-10-20(19(23)11-14)24-21(27)13-29-22(28)12-18-15(2)25-26(16(18)3)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,24,27)