ethyl 4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethoxy]-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethoxy]-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O5/c1-2-29-22(28)21-19(14-26(25-21)17-6-4-3-5-7-17)31-15-20(27)24-12-13-30-18-10-8-16(23)9-11-18/h3-11,14H,2,12-13,15H2,1H3,(H,24,27)