N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S2/c1-3-27-18-12-16(22(24)25)15(11-17(18)26-2)19(23)21-14-7-4-6-13(10-14)20-28-8-5-9-29-20/h4,6-7,10-12,20H,3,5,8-9H2,1-2H3,(H,21,23)