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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)CC#N)CC(=O)O

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)CC#N)CC(=O)O

InChI

InChI=1S/C13H15N3O3/c1-16(9-13(18)19)8-12(17)15-11-4-2-10(3-5-11)6-7-14/h2-5H,6,8-9H2,1H3,(H,15,17)(H,18,19)