(2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide

Systemtic Name: (2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide Openeye Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-[bis(cyanomethyl)amino]propanamide CAS Name: (2S)-N-(3-amino-4-chlorophenyl)-2-[bis(cyanomethyl)amino]propanamide IUPAC Name: (2S)-N-(3-amino-4-chlorophenyl)-2-[bis(cyanomethyl)amino]propanamide Traditional Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-[bis(cyanomethyl)amino]propionamide Formula: C13H14ClN5O MolecularWeight: 291.73616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)N)N(CC#N)CC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)N)N(CC#N)CC#N

InChI

InChI=1S/C13H14ClN5O/c1-9(19(6-4-15)7-5-16)13(20)18-10-2-3-11(14)12(17)8-10/h2-3,8-9H,6-7,17H2,1H3,(H,18,20)/t9-/m0/s1