3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanenitrile

Systemtic Name: 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanenitrile Openeye Name: 3-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanenitrile CAS Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanenitrile IUPAC Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanenitrile Traditional Name: 3-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionitrile Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O5S/c1-26(23,24)12-4-6-16(13(17)10-12)25-11-3-5-15(20(21)22)14(9-11)19-8-2-7-18/h3-6,9-10,19H,2,8H2,1H3