[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H17BrN2O4/c17-12-4-3-5-13(8-12)22-10-15(21)23-9-14(20)19-16(11-18)6-1-2-7-16/h3-5,8H,1-2,6-7,9-10H2,(H,19,20)