4-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-nitro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C20H13N3O3 MolecularWeight: 343.33552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O3/c24-20(16-8-11-19(12-9-16)23(25)26)22-18-6-3-4-15(14-18)7-10-17-5-1-2-13-21-17/h1-6,8-9,11-14H,(H,22,24)