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

Systemtic Name: 3-[2-chloroethyl-(4-methanoylphenyl)amino]propanenitrile Openeye Name: 3-[N-(2-chloroethyl)-4-formyl-anilino]propanenitrile CAS Name: 3-[N-(2-chloroethyl)-4-formylanilino]propanenitrile IUPAC Name: 3-[N-(2-chloroethyl)-4-formylanilino]propanenitrile Traditional Name: 3-[N-(2-chloroethyl)-4-formyl-anilino]propionitrile Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O/c13-6-9-15(8-1-7-14)12-4-2-11(10-16)3-5-12/h2-5,10H,1,6,8-9H2