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

Systemtic Name: methyl 3-bromanyl-4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[N-(cyanomethyl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[N-(cyanomethyl)anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4/c1-24-18(23)13-7-8-16(15(19)11-13)25-12-17(22)21(10-9-20)14-5-3-2-4-6-14/h2-8,11H,10,12H2,1H3