1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C17H20N4O4/c1-13(22)19-6-8-20(9-7-19)14-4-5-17(21(23)24)16(11-14)18-12-15-3-2-10-25-15/h2-5,10-11,18H,6-9,12H2,1H3