N-(3-ethynylphenyl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-ethynylphenyl)-3,5-dinitro-benzamide Openeye Name: N-(3-ethynylphenyl)-3,5-dinitro-benzamide CAS Name: N-(3-ethynylphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(3-ethynylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(3-ethynylphenyl)-3,5-dinitro-benzamide Formula: C15H9N3O5 MolecularWeight: 311.24906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O5/c1-2-10-4-3-5-12(6-10)16-15(19)11-7-13(17(20)21)9-14(8-11)18(22)23/h1,3-9H,(H,16,19)