[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)OC

InChI

InChI=1S/C21H21ClN2O5/c1-3-4-9-28-18-8-6-14(10-19(18)27-2)21(26)29-13-20(25)24-16-7-5-15(12-23)17(22)11-16/h5-8,10-11H,3-4,9,13H2,1-2H3,(H,24,25)