1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Formula: C20H21ClFN3O4 MolecularWeight: 421.849843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H21ClFN3O4/c21-19-9-17(22)2-1-14(19)10-23-3-5-24(6-4-23)11-15-7-18(25(26)27)8-16-12-28-13-29-20(15)16/h1-2,7-9H,3-6,10-13H2