2-(2-methyl-5-nitro-phenyl)sulfonylethanenitrile

Systemtic Name: 2-(2-methyl-5-nitro-phenyl)sulfonylethanenitrile Openeye Name: 2-(2-methyl-5-nitro-phenyl)sulfonylacetonitrile CAS Name: 2-(2-methyl-5-nitrophenyl)sulfonylacetonitrile IUPAC Name: 2-(2-methyl-5-nitrophenyl)sulfonylacetonitrile Traditional Name: 2-(2-methyl-5-nitro-phenyl)sulfonylacetonitrile Formula: C9H8N2O4S MolecularWeight: 240.23582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)CC#N

InChI

InChI=1S/C9H8N2O4S/c1-7-2-3-8(11(12)13)6-9(7)16(14,15)5-4-10/h2-3,6H,5H2,1H3