[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone

Systemtic Name: [4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: [4-(benzofuran-2-carbonyl)piperazin-1-yl]-(2-chloro-4-nitro-phenyl)methanone CAS Name: [4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-(2-chloro-4-nitrophenyl)methanone IUPAC Name: [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-chloro-4-nitrophenyl)methanone Traditional Name: [4-(benzofuran-2-carbonyl)piperazino]-(2-chloro-4-nitro-phenyl)methanone Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H16ClN3O5/c21-16-12-14(24(27)28)5-6-15(16)19(25)22-7-9-23(10-8-22)20(26)18-11-13-3-1-2-4-17(13)29-18/h1-6,11-12H,7-10H2