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

Systemtic Name: 3-[[4-(chloromethyl)-2-nitro-phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-(chloromethyl)-N-methyl-2-nitro-anilino]propanenitrile CAS Name: 3-[4-(chloromethyl)-N-methyl-2-nitroanilino]propanenitrile IUPAC Name: 3-[4-(chloromethyl)-N-methyl-2-nitroanilino]propanenitrile Traditional Name: 3-[4-(chloromethyl)-N-methyl-2-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)CCl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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