3-ethoxy-4-(4-methylsulfonyl-2-nitro-phenoxy)benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-(4-methylsulfonyl-2-nitro-phenoxy)benzenecarbonitrile Openeye Name: 3-ethoxy-4-(4-methylsulfonyl-2-nitro-phenoxy)benzonitrile CAS Name: 3-ethoxy-4-(4-methylsulfonyl-2-nitrophenoxy)benzonitrile IUPAC Name: 3-ethoxy-4-(4-methylsulfonyl-2-nitrophenoxy)benzonitrile Traditional Name: 3-ethoxy-4-(4-mesyl-2-nitro-phenoxy)benzonitrile Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6S/c1-3-23-16-8-11(10-17)4-6-15(16)24-14-7-5-12(25(2,21)22)9-13(14)18(19)20/h4-9H,3H2,1-2H3