3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C19H12N2O3S MolecularWeight: 348.37518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N2O3S/c22-19(15-5-2-7-17(13-15)21(23)24)20-16-6-1-4-14(12-16)9-10-18-8-3-11-25-18/h1-8,11-13H,(H,20,22)