methyl 3-bromanyl-4-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[N-(2-cyanoethyl)anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(CCC#N)C2=CC=CC=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(CCC#N)C2=CC=CC=C2)Br

InChI

InChI=1S/C19H17BrN2O4/c1-25-19(24)14-8-9-17(16(20)12-14)26-13-18(23)22(11-5-10-21)15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13H2,1H3