4-(1-benzofuran-2-ylcarbonyl)-N-(2-methoxy-5-nitro-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1-benzofuran-2-ylcarbonyl)-N-(2-methoxy-5-nitro-phenyl)piperazine-1-carboxamide Openeye Name: 4-(benzofuran-2-carbonyl)-N-(2-methoxy-5-nitro-phenyl)piperazine-1-carboxamide CAS Name: 4-[2-benzofuranyl(oxo)methyl]-N-(2-methoxy-5-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1-benzofuran-2-carbonyl)-N-(2-methoxy-5-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(benzofuran-2-carbonyl)-N-(2-methoxy-5-nitro-phenyl)piperazine-1-carboxamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N4O6/c1-30-18-7-6-15(25(28)29)13-16(18)22-21(27)24-10-8-23(9-11-24)20(26)19-12-14-4-2-3-5-17(14)31-19/h2-7,12-13H,8-11H2,1H3,(H,22,27)