[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H19BrN2O5/c1-28-19-9-7-15(22)13-17(19)18(25)8-10-21(27)29-14-20(26)24(12-11-23)16-5-3-2-4-6-16/h2-7,9,13H,8,10,12,14H2,1H3