N-[2-nitro-6-(2-phenylethynyl)phenyl]butanamide

Systemtic Name: N-[2-nitro-6-(2-phenylethynyl)phenyl]butanamide Openeye Name: N-[2-nitro-6-(2-phenylethynyl)phenyl]butanamide CAS Name: N-[2-nitro-6-(2-phenylethynyl)phenyl]butanamide IUPAC Name: N-[2-nitro-6-(2-phenylethynyl)phenyl]butanamide Traditional Name: N-[2-nitro-6-(2-phenylethynyl)phenyl]butyramide Formula: C18H16N2O3 MolecularWeight: 308.33124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C#CC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C#CC2=CC=CC=C2

InChI

InChI=1S/C18H16N2O3/c1-2-7-17(21)19-18-15(10-6-11-16(18)20(22)23)13-12-14-8-4-3-5-9-14/h3-6,8-11H,2,7H2,1H3,(H,19,21)