N-(2-aminophenyl)-3-[bis(cyanomethyl)amino]propanamide

Systemtic Name: N-(2-aminophenyl)-3-[bis(cyanomethyl)amino]propanamide Openeye Name: N-(2-aminophenyl)-3-[bis(cyanomethyl)amino]propanamide CAS Name: N-(2-aminophenyl)-3-[bis(cyanomethyl)amino]propanamide IUPAC Name: N-(2-aminophenyl)-3-[bis(cyanomethyl)amino]propanamide Traditional Name: N-(2-aminophenyl)-3-[bis(cyanomethyl)amino]propionamide Formula: C13H15N5O MolecularWeight: 257.2911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)CCN(CC#N)CC#N

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)CCN(CC#N)CC#N

InChI

InChI=1S/C13H15N5O/c14-6-9-18(10-7-15)8-5-13(19)17-12-4-2-1-3-11(12)16/h1-4H,5,8-10,16H2,(H,17,19)