cyanomethyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: cyanomethyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: cyanomethyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid cyanomethyl ester Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC#N)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC#N)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C14H15BrN2O3/c1-9(2)12(14(19)20-8-7-16)17-13(18)10-5-3-4-6-11(10)15/h3-6,9,12H,8H2,1-2H3,(H,17,18)/t12-/m0/s1