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

Systemtic Name: 4-ethoxy-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O4S/c1-2-27-20-11-9-16(14-19(20)23(25)26)21(24)22-17-6-3-5-15(13-17)8-10-18-7-4-12-28-18/h3-7,9,11-14H,2H2,1H3,(H,22,24)