5-nitro-2-(2-phenylethynyl)-N-propyl-benzamide

Systemtic Name: 5-nitro-2-(2-phenylethynyl)-N-propyl-benzamide Openeye Name: 5-nitro-2-(2-phenylethynyl)-N-propyl-benzamide CAS Name: 5-nitro-2-(2-phenylethynyl)-N-propylbenzamide IUPAC Name: 5-nitro-2-(2-phenylethynyl)-N-propylbenzamide Traditional Name: 5-nitro-2-(2-phenylethynyl)-N-propyl-benzamide Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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