3-nitro-4-[[[3-(2-thiophen-2-ylethynyl)phenyl]amino]methyl]benzamide

Systemtic Name: 3-nitro-4-[[[3-(2-thiophen-2-ylethynyl)phenyl]amino]methyl]benzamide Openeye Name: 3-nitro-4-[[3-[2-(2-thienyl)ethynyl]anilino]methyl]benzamide CAS Name: 3-nitro-4-[[3-(2-thiophen-2-ylethynyl)anilino]methyl]benzamide IUPAC Name: 3-nitro-4-[[3-(2-thiophen-2-ylethynyl)anilino]methyl]benzamide Traditional Name: 3-nitro-4-[[3-[2-(2-thienyl)ethynyl]anilino]methyl]benzamide Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C#CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C#CC3=CC=CS3

InChI

InChI=1S/C20H15N3O3S/c21-20(24)15-7-8-16(19(12-15)23(25)26)13-22-17-4-1-3-14(11-17)6-9-18-5-2-10-27-18/h1-5,7-8,10-12,22H,13H2,(H2,21,24)