3,4,5-trimethoxy-2-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H18N2O6S/c1-28-18-13-17(19(24(26)27)21(30-3)20(18)29-2)22(25)23-15-7-4-6-14(12-15)9-10-16-8-5-11-31-16/h4-8,11-13H,1-3H3,(H,23,25)