N-(4-azanyl-2-bromanyl-phenyl)-2-[bis(cyanomethyl)amino]ethanamide

Systemtic Name: N-(4-azanyl-2-bromanyl-phenyl)-2-[bis(cyanomethyl)amino]ethanamide Openeye Name: N-(4-amino-2-bromo-phenyl)-2-[bis(cyanomethyl)amino]acetamide CAS Name: N-(4-amino-2-bromophenyl)-2-[bis(cyanomethyl)amino]acetamide IUPAC Name: N-(4-amino-2-bromophenyl)-2-[bis(cyanomethyl)amino]acetamide Traditional Name: N-(4-amino-2-bromo-phenyl)-2-[bis(cyanomethyl)amino]acetamide Formula: C12H12BrN5O MolecularWeight: 322.16058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)Br)NC(=O)CN(CC#N)CC#N

Isomeric SMILES

C1=CC(=C(C=C1N)Br)NC(=O)CN(CC#N)CC#N

InChI

InChI=1S/C12H12BrN5O/c13-10-7-9(16)1-2-11(10)17-12(19)8-18(5-3-14)6-4-15/h1-2,7H,5-6,8,16H2,(H,17,19)