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

Systemtic Name: 2-[[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]acetic acid Traditional Name: 2-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]amino]acetic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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