2-[bis(cyanomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[bis(cyanomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[bis(cyanomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[bis(cyanomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[bis(cyanomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[bis(cyanomethyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N(CC#N)CC#N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N(CC#N)CC#N)O

InChI

InChI=1S/C13H13N3O3/c14-5-7-16(8-6-15)12(13(18)19)9-10-1-3-11(17)4-2-10/h1-4,12,17H,7-9H2,(H,18,19)