N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)C3SCCS3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)C3SCCS3)C

InChI

InChI=1S/C19H20N2O4S2/c1-12-3-8-16(21(23)24)18(13(12)2)20-17(22)11-25-15-6-4-14(5-7-15)19-26-9-10-27-19/h3-8,19H,9-11H2,1-2H3,(H,20,22)