(2S)-N-(2-azanyl-5-chloranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide

Systemtic Name: (2S)-N-(2-azanyl-5-chloranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide Openeye Name: (2S)-N-(2-amino-5-chloro-phenyl)-2-[bis(cyanomethyl)amino]propanamide CAS Name: (2S)-N-(2-amino-5-chlorophenyl)-2-[bis(cyanomethyl)amino]propanamide IUPAC Name: (2S)-N-(2-amino-5-chlorophenyl)-2-[bis(cyanomethyl)amino]propanamide Traditional Name: (2S)-N-(2-amino-5-chloro-phenyl)-2-[bis(cyanomethyl)amino]propionamide Formula: C13H14ClN5O MolecularWeight: 291.73616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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