3-[[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-(2-cyanoanilino)-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-(2-cyanoanilino)-2-keto-ethyl]amino]propionic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CNCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CNCCC(=O)O

InChI

InChI=1S/C12H13N3O3/c13-7-9-3-1-2-4-10(9)15-11(16)8-14-6-5-12(17)18/h1-4,14H,5-6,8H2,(H,15,16)(H,17,18)