3-azanyl-4-[[bis(cyanomethyl)amino]methyl]benzamide

Systemtic Name: 3-azanyl-4-[[bis(cyanomethyl)amino]methyl]benzamide Openeye Name: 3-amino-4-[[bis(cyanomethyl)amino]methyl]benzamide CAS Name: 3-amino-4-[[bis(cyanomethyl)amino]methyl]benzamide IUPAC Name: 3-amino-4-[[bis(cyanomethyl)amino]methyl]benzamide Traditional Name: 3-amino-4-[[bis(cyanomethyl)amino]methyl]benzamide Formula: C12H13N5O MolecularWeight: 243.26452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O/c13-3-5-17(6-4-14)8-10-2-1-9(12(16)18)7-11(10)15/h1-2,7H,5-6,8,15H2,(H2,16,18)