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

Systemtic Name: 3-[methyl-(4-methylsulfonyl-2-nitro-phenyl)amino]propanenitrile Openeye Name: 3-(N-methyl-4-methylsulfonyl-2-nitro-anilino)propanenitrile CAS Name: 3-(N-methyl-4-methylsulfonyl-2-nitroanilino)propanenitrile IUPAC Name: 3-(N-methyl-4-methylsulfonyl-2-nitroanilino)propanenitrile Traditional Name: 3-(4-mesyl-N-methyl-2-nitro-anilino)propionitrile Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c1-13(7-3-6-12)10-5-4-9(19(2,17)18)8-11(10)14(15)16/h4-5,8H,3,7H2,1-2H3