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

Systemtic Name: 3-[[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-[N-(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=C(C=C1)N(CC#N)C(=O)CNCCC(=O)O

Isomeric SMILES

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

InChI

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