3-[[2-(chloromethyl)-4-nitro-phenyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[2-(chloromethyl)-4-nitro-phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[2-(chloromethyl)-N-methyl-4-nitro-anilino]propanenitrile CAS Name: 3-[2-(chloromethyl)-N-methyl-4-nitroanilino]propanenitrile IUPAC Name: 3-[2-(chloromethyl)-N-methyl-4-nitroanilino]propanenitrile Traditional Name: 3-[2-(chloromethyl)-N-methyl-4-nitro-anilino]propionitrile Formula: C11H12ClN3O2 MolecularWeight: 253.68488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=C(C=C1)[N+](=O)[O-])CCl

Isomeric SMILES

CN(CCC#N)C1=C(C=C(C=C1)[N+](=O)[O-])CCl

InChI

InChI=1S/C11H12ClN3O2/c1-14(6-2-5-13)11-4-3-10(15(16)17)7-9(11)8-12/h3-4,7H,2,6,8H2,1H3