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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O3S/c1-21-18-10-8-15(13-19(18)23(25)26)20(24)22-16-5-2-4-14(12-16)7-9-17-6-3-11-27-17/h2-6,8,10-13,21H,1H3,(H,22,24)