(E)-7-bromanyl-2-(2-cyanoethanoylamino)hept-2-enoic acid

Systemtic Name: (E)-7-bromanyl-2-(2-cyanoethanoylamino)hept-2-enoic acid Openeye Name: (E)-7-bromo-2-[(2-cyanoacetyl)amino]hept-2-enoic acid CAS Name: (E)-7-bromo-2-[(2-cyano-1-oxoethyl)amino]-2-heptenoic acid IUPAC Name: (E)-7-bromo-2-[(2-cyanoacetyl)amino]hept-2-enoic acid Traditional Name: (E)-7-bromo-2-[(2-cyanoacetyl)amino]hept-2-enoic acid Formula: C10H13BrN2O3 MolecularWeight: 289.12582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCBr)CC=C(C(=O)O)NC(=O)CC#N

Isomeric SMILES

C(CCBr)C/C=C(\C(=O)O)/NC(=O)CC#N

InChI

InChI=1S/C10H13BrN2O3/c11-6-3-1-2-4-8(10(15)16)13-9(14)5-7-12/h4H,1-3,5-6H2,(H,13,14)(H,15,16)/b8-4+