methyl 3-bromanyl-4-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)C

InChI

InChI=1S/C21H21BrN2O4/c1-14-9-15(2)11-17(10-14)24(8-4-7-23)20(25)13-28-19-6-5-16(12-18(19)22)21(26)27-3/h5-6,9-12H,4,8,13H2,1-3H3