N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)[N+](=O)[O-]

InChI

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