2-(4-methylphenyl)sulfonyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-(p-tolylsulfonyl)benzonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-5-nitrobenzonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-5-nitrobenzonitrile Traditional Name: 5-nitro-2-tosyl-benzonitrile Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H10N2O4S/c1-10-2-5-13(6-3-10)21(19,20)14-7-4-12(16(17)18)8-11(14)9-15/h2-8H,1H3