[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-ethanoylphenoxy)propanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-ethanoylphenoxy)propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 3-(4-acetylphenoxy)propanoate CAS Name: 3-(4-acetylphenoxy)propanoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate Traditional Name: 3-(4-acetylphenoxy)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCOC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCOC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H19ClN2O5/c1-13(25)15-4-7-18(8-5-15)28-10-9-20(26)29-14(2)21(27)24-17-6-3-16(12-23)19(22)11-17/h3-8,11,14H,9-10H2,1-2H3,(H,24,27)