ethyl 4-[2-[3-(4-chloranylphenoxy)phenyl]ethanoylamino]-2,5-dimethyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[3-(4-chloranylphenoxy)phenyl]ethanoylamino]-2,5-dimethyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[[2-[3-(4-chlorophenoxy)phenyl]acetyl]amino]-2,5-dimethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-[3-(4-chlorophenoxy)phenyl]-1-oxoethyl]amino]-2,5-dimethyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(4-chlorophenoxy)phenyl]acetyl]amino]-2,5-dimethylpyrazole-3-carboxylate Traditional Name: 4-[[2-[3-(4-chlorophenoxy)phenyl]acetyl]amino]-2,5-dimethyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C)C)NC(=O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C)C)NC(=O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-4-29-22(28)21-20(14(2)25-26(21)3)24-19(27)13-15-6-5-7-18(12-15)30-17-10-8-16(23)9-11-17/h5-12H,4,13H2,1-3H3,(H,24,27)