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

Systemtic Name: 4-methoxy-3-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4/c1-28-20-11-9-16(14-19(20)24(26)27)21(25)23-18-7-4-5-15(13-18)8-10-17-6-2-3-12-22-17/h2-7,9,11-14H,1H3,(H,23,25)