ethyl 5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C21H20ClN3O4/c1-3-28-21(27)17-12-23-25(16-7-5-4-6-8-16)20(17)24-19(26)13-29-18-10-9-15(22)11-14(18)2/h4-12H,3,13H2,1-2H3,(H,24,26)