cyanomethyl 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: cyanomethyl 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: cyanomethyl 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid cyanomethyl ester Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC#N)Br

InChI

InChI=1S/C12H11BrN2O3/c13-10-3-1-9(2-4-10)12(17)15-7-5-11(16)18-8-6-14/h1-4H,5,7-8H2,(H,15,17)