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

Systemtic Name: [4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-iodanylphenyl)methanone Openeye Name: [4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-iodophenyl)methanone CAS Name: [4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-(2-iodophenyl)methanone IUPAC Name: [4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-(2-iodophenyl)methanone Traditional Name: [4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]-(2-iodophenyl)methanone Formula: C22H21IN4O4 MolecularWeight: 532.33101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4I

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4I

InChI

InChI=1S/C22H21IN4O4/c23-19-6-2-1-5-18(19)22(28)26-11-9-25(10-12-26)16-7-8-21(27(29)30)20(14-16)24-15-17-4-3-13-31-17/h1-8,13-14,24H,9-12,15H2