[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C

InChI

InChI=1S/C18H15ClN2O3/c1-11-5-12(2)7-14(6-11)18(23)24-10-17(22)21-15-4-3-13(9-20)16(19)8-15/h3-8H,10H2,1-2H3,(H,21,22)