methyl 3-bromanyl-4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2(CCCC2)C#N)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2(CCCC2)C#N)Br

InChI

InChI=1S/C16H17BrN2O4/c1-22-15(21)11-4-5-13(12(17)8-11)23-9-14(20)19-16(10-18)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)