[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O4/c18-13-5-3-12(4-6-13)16(24)20-9-15(23)25-10-14(22)21-17(11-19)7-1-2-8-17/h3-6H,1-2,7-10H2,(H,20,24)(H,21,22)