N-[5-nitro-2-(2-phenylethynyl)phenyl]butanamide

Systemtic Name: N-[5-nitro-2-(2-phenylethynyl)phenyl]butanamide Openeye Name: N-[5-nitro-2-(2-phenylethynyl)phenyl]butanamide CAS Name: N-[5-nitro-2-(2-phenylethynyl)phenyl]butanamide IUPAC Name: N-[5-nitro-2-(2-phenylethynyl)phenyl]butanamide Traditional Name: N-[5-nitro-2-(2-phenylethynyl)phenyl]butyramide Formula: C18H16N2O3 MolecularWeight: 308.33124

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