3-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid

Systemtic Name: 3-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid Openeye Name: 3-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid CAS Name: 3-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid IUPAC Name: 3-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid Traditional Name: 3-[2-[bis(cyanomethyl)amino]ethoxy]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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