N'-(2-nitrophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide

Systemtic Name: N'-(2-nitrophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide Openeye Name: N'-(2-nitrophenyl)-N-[2-pyrrolidin-1-yl-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(2-nitrophenyl)-N-[2-(1-pyrrolidinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(2-nitrophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide Traditional Name: N'-(2-nitrophenyl)-N-[2-pyrrolidino-2-(3-thienyl)ethyl]oxamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C18H20N4O4S/c23-17(18(24)20-14-5-1-2-6-15(14)22(25)26)19-11-16(13-7-10-27-12-13)21-8-3-4-9-21/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,19,23)(H,20,24)