2-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid

Systemtic Name: 2-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid Openeye Name: 2-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid CAS Name: 2-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid IUPAC Name: 2-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid Traditional Name: 2-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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