methyl 5-[2-(4-chloranylphenoxy)propanoylamino]-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[2-(4-chloranylphenoxy)propanoylamino]-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 5-[2-(4-chlorophenoxy)propanoylamino]-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-3-methyl-1-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-chlorophenoxy)propanoylamino]-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(4-chlorophenoxy)propanoylamino]-3-methyl-1-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC)NC(=O)C(C)OC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC)NC(=O)C(C)OC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

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