2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-5-nitro-benzonitrile CAS Name: 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-5-nitrobenzonitrile IUPAC Name: 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-5-nitrobenzonitrile Traditional Name: 2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-5-nitro-benzonitrile Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14N2O4S2/c1-22-16-9-11(17-24-6-7-25-17)2-4-15(16)23-14-5-3-13(19(20)21)8-12(14)10-18/h2-5,8-9,17H,6-7H2,1H3