[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-(5-acetyl-2-methoxy-phenyl)acetate CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)acetic 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)CC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C21H19ClN2O5/c1-12(25)14-5-7-19(28-3)16(8-14)9-20(26)29-13(2)21(27)24-17-6-4-15(11-23)18(22)10-17/h4-8,10,13H,9H2,1-3H3,(H,24,27)