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3-[(4-methylsulfonyl-2,6-dinitro-phenyl)amino]propanenitrile

3-[(4-methylsulfonyl-2,6-dinitro-phenyl)amino]propanenitrile

Systemtic Name:3-[(4-methylsulfonyl-2,6-dinitro-phenyl)amino]propanenitrile
Openeye Name:3-(4-methylsulfonyl-2,6-dinitro-anilino)propanenitrile
CAS Name:3-(4-methylsulfonyl-2,6-dinitroanilino)propanenitrile
IUPAC Name:3-(4-methylsulfonyl-2,6-dinitroanilino)propanenitrile
Traditional Name:3-(4-mesyl-2,6-dinitro-anilino)propionitrile
Formula: C10H10N4O6S
MolecularWeight: 314.2746
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C10H10N4O6S/c1-21(19,20)7-5-8(13(15)16)10(12-4-2-3-11)9(6-7)14(17)18/h5-6,12H,2,4H2,1H3


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