2-azanyl-3-methylsulfonyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-azanyl-3-methylsulfonyl-5-nitro-benzenecarbonitrile Openeye Name: 2-amino-3-methylsulfonyl-5-nitro-benzonitrile CAS Name: 2-amino-3-methylsulfonyl-5-nitrobenzonitrile IUPAC Name: 2-amino-3-methylsulfonyl-5-nitrobenzonitrile Traditional Name: 2-amino-3-mesyl-5-nitro-benzonitrile Formula: C8H7N3O4S MolecularWeight: 241.22388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O4S/c1-16(14,15)7-3-6(11(12)13)2-5(4-9)8(7)10/h2-3H,10H2,1H3