[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(benzofuran-2-carbonyl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(benzofuran-2-carbonyl)piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O5/c1-14-16(6-4-7-17(14)24(27)28)20(25)22-9-11-23(12-10-22)21(26)19-13-15-5-2-3-8-18(15)29-19/h2-8,13H,9-12H2,1H3