2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-[(4-nitrophenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-[(4-nitrophenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-N-[(4-nitrophenyl)carbamoyl]acetamide CAS Name: 2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-N-[(4-nitroanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[(4-nitrophenyl)carbamoyl]acetamide Traditional Name: 2-[4-(benzofuran-2-carbonyl)piperazino]-N-[(4-nitrophenyl)carbamoyl]acetamide Formula: C22H21N5O6 MolecularWeight: 451.43204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N5O6/c28-20(24-22(30)23-16-5-7-17(8-6-16)27(31)32)14-25-9-11-26(12-10-25)21(29)19-13-15-3-1-2-4-18(15)33-19/h1-8,13H,9-12,14H2,(H2,23,24,28,30)