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

Systemtic Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-nitro-benzamide Openeye Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-nitro-benzamide CAS Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-3-nitrobenzamide IUPAC Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-3-nitrobenzamide Traditional Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-nitro-benzamide Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S2/c1-23-15-9-11(17-25-6-7-26-17)3-5-14(15)24-13-4-2-10(16(18)20)8-12(13)19(21)22/h2-5,8-9,17H,6-7H2,1H3,(H2,18,20)