2-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]ethanenitrile Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]acetonitrile CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]acetonitrile IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]acetonitrile Traditional Name: 2-[4-(4-mesyl-2-nitro-phenoxy)phenyl]acetonitrile Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O5S/c1-23(20,21)13-6-7-15(14(10-13)17(18)19)22-12-4-2-11(3-5-12)8-9-16/h2-7,10H,8H2,1H3