2-[4-(1-isocyanoethyl)phenyl]propanenitrile

Systemtic Name: 2-[4-(1-isocyanoethyl)phenyl]propanenitrile Openeye Name: 2-[4-(1-isocyanoethyl)phenyl]propanenitrile CAS Name: 2-[4-(1-isocyanoethyl)phenyl]propanenitrile IUPAC Name: 2-[4-(1-isocyanoethyl)phenyl]propanenitrile Traditional Name: 2-[4-(1-isocyanoethyl)phenyl]propionitrile Formula: C12H12N2 MolecularWeight: 184.23708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=C(C=C1)C(C)[N+]#[C-]

Isomeric SMILES

CC(C#N)C1=CC=C(C=C1)C(C)[N+]#[C-]

InChI

InChI=1S/C12H12N2/c1-9(8-13)11-4-6-12(7-5-11)10(2)14-3/h4-7,9-10H,1-2H3