3-[2-cyanoethyl-(4-methanoylphenyl)amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-(4-methanoylphenyl)amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-formyl-anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-formylanilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-formylanilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-formyl-anilino]propionitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C=O)N(CCC#N)CCC#N

InChI

InChI=1S/C13H13N3O/c14-7-1-9-16(10-2-8-15)13-5-3-12(11-17)4-6-13/h3-6,11H,1-2,9-10H2