4-[bis(cyanomethyl)amino]benzoic acid

Systemtic Name: 4-[bis(cyanomethyl)amino]benzoic acid Openeye Name: 4-[bis(cyanomethyl)amino]benzoic acid CAS Name: 4-[bis(cyanomethyl)amino]benzoic acid IUPAC Name: 4-[bis(cyanomethyl)amino]benzoic acid Traditional Name: 4-[bis(cyanomethyl)amino]benzoic acid Formula: C11H9N3O2 MolecularWeight: 215.20806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(CC#N)CC#N

InChI

InChI=1S/C11H9N3O2/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15)16/h1-4H,7-8H2,(H,15,16)