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

Systemtic Name: ethyl 1-[3-[2-(2-chloranylphenoxy)ethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-5-methyl-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=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3Cl)C

InChI

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