4-[[bis(cyanomethyl)amino]methyl]benzoate

Systemtic Name: 4-[[bis(cyanomethyl)amino]methyl]benzoate Openeye Name: 4-[[bis(cyanomethyl)amino]methyl]benzoate CAS Name: 4-[[bis(cyanomethyl)amino]methyl]benzoate IUPAC Name: 4-[[bis(cyanomethyl)amino]methyl]benzoate Traditional Name: 4-[[bis(cyanomethyl)amino]methyl]benzoate Formula: C12H10N3O2- MolecularWeight: 228.2267

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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)/p-1