cyanomethyl (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: cyanomethyl (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: cyanomethyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butyric acid cyanomethyl ester Formula: C14H14Cl2N2O3 MolecularWeight: 329.17856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14Cl2N2O3/c1-8(2)12(14(20)21-6-5-17)18-13(19)10-4-3-9(15)7-11(10)16/h3-4,7-8,12H,6H2,1-2H3,(H,18,19)/t12-/m0/s1