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

Systemtic Name: methyl 4-[[bis(cyanomethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[bis(cyanomethyl)amino]methyl]benzoate CAS Name: 4-[[bis(cyanomethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[bis(cyanomethyl)amino]methyl]benzoate Traditional Name: 4-[[bis(cyanomethyl)amino]methyl]benzoic acid methyl ester Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CC#N)CC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CC#N)CC#N

InChI

InChI=1S/C13H13N3O2/c1-18-13(17)12-4-2-11(3-5-12)10-16(8-6-14)9-7-15/h2-5H,8-10H2,1H3