3,5-dinitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3,5-dinitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 3,5-dinitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 3,5-dinitro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 3,5-dinitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 3,5-dinitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C20H12N4O5 MolecularWeight: 388.33308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12N4O5/c25-20(15-11-18(23(26)27)13-19(12-15)24(28)29)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-6,9-13H,(H,22,25)