[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O3/c16-12-5-3-11(4-6-12)14(20)21-9-13(19)18-15(10-17)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,18,19)