3-nitro-N-[2-(2-phenylethynyl)phenyl]benzamide

Systemtic Name: 3-nitro-N-[2-(2-phenylethynyl)phenyl]benzamide Openeye Name: 3-nitro-N-[2-(2-phenylethynyl)phenyl]benzamide CAS Name: 3-nitro-N-[2-(2-phenylethynyl)phenyl]benzamide IUPAC Name: 3-nitro-N-[2-(2-phenylethynyl)phenyl]benzamide Traditional Name: 3-nitro-N-[2-(2-phenylethynyl)phenyl]benzamide Formula: C21H14N2O3 MolecularWeight: 342.34746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O3/c24-21(18-10-6-11-19(15-18)23(25)26)22-20-12-5-4-9-17(20)14-13-16-7-2-1-3-8-16/h1-12,15H,(H,22,24)