3-[[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]amino]propionic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CNCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CNCCC(=O)O

InChI

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