4-[[bis(cyanomethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[bis(cyanomethyl)amino]methyl]benzoic acid Openeye Name: 4-[[bis(cyanomethyl)amino]methyl]benzoic acid CAS Name: 4-[[bis(cyanomethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[bis(cyanomethyl)amino]methyl]benzoic acid Traditional Name: 4-[[bis(cyanomethyl)amino]methyl]benzoic acid Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C12H11N3O2/c13-5-7-15(8-6-14)9-10-1-3-11(4-2-10)12(16)17/h1-4H,7-9H2,(H,16,17)