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

Systemtic Name: 3-methoxy-4-(4-methylsulfonyl-2-nitro-phenoxy)benzenecarbonitrile Openeye Name: 3-methoxy-4-(4-methylsulfonyl-2-nitro-phenoxy)benzonitrile CAS Name: 3-methoxy-4-(4-methylsulfonyl-2-nitrophenoxy)benzonitrile IUPAC Name: 3-methoxy-4-(4-methylsulfonyl-2-nitrophenoxy)benzonitrile Traditional Name: 4-(4-mesyl-2-nitro-phenoxy)-3-methoxy-benzonitrile Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6S/c1-22-15-7-10(9-16)3-5-14(15)23-13-6-4-11(24(2,20)21)8-12(13)17(18)19/h3-8H,1-2H3