[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H17BrN2O4 MolecularWeight: 381.22118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)Br

InChI

InChI=1S/C16H17BrN2O4/c1-22-13-5-4-11(8-12(13)17)15(21)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)