3-cyanopropyl 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: 3-cyanopropyl 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: 3-cyanopropyl 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid 3-cyanopropyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)OCCCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)OCCCC#N)Br

InChI

InChI=1S/C13H13BrN2O3/c14-11-5-3-10(4-6-11)13(18)16-9-12(17)19-8-2-1-7-15/h3-6H,1-2,8-9H2,(H,16,18)