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

Systemtic Name: 4-nitro-3-oxidanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 3-hydroxy-4-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 3-hydroxy-4-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 3-hydroxy-4-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 3-hydroxy-4-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C19H12N2O4S MolecularWeight: 364.37458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N2O4S/c22-18-12-14(7-9-17(18)21(24)25)19(23)20-15-4-1-3-13(11-15)6-8-16-5-2-10-26-16/h1-5,7,9-12,22H,(H,20,23)