3-[[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]amino]propanoic acid

Systemtic Name: 3-[[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]amino]propanoic acid Openeye Name: 3-[[3-(4-cyanoanilino)-3-oxo-propyl]amino]propanoic acid CAS Name: 3-[[3-(4-cyanoanilino)-3-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[3-(4-cyanoanilino)-3-oxopropyl]amino]propanoic acid Traditional Name: 3-[[3-(4-cyanoanilino)-3-keto-propyl]amino]propionic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCNCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCNCCC(=O)O

InChI

InChI=1S/C13H15N3O3/c14-9-10-1-3-11(4-2-10)16-12(17)5-7-15-8-6-13(18)19/h1-4,15H,5-8H2,(H,16,17)(H,18,19)