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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-14-11-18(9-10-19(14)23)29-13-21(28)30-12-20(27)24-22-15(2)25-26(16(22)3)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,24,27)