2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]propanoic acid

Systemtic Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]propanoic acid Openeye Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]propanoic acid CAS Name: 2-[(3-cyano-2-cyclohepta[b]pyrrolyl)amino]propanoic acid IUPAC Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]propanoic acid Traditional Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]propionic acid Formula: C13H11N3O2 MolecularWeight: 241.24534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C2=CC=CC=CC2=N1)C#N

Isomeric SMILES

CC(C(=O)O)NC1=C(C2=CC=CC=CC2=N1)C#N

InChI

InChI=1S/C13H11N3O2/c1-8(13(17)18)15-12-10(7-14)9-5-3-2-4-6-11(9)16-12/h2-6,8H,1H3,(H,15,16)(H,17,18)