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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Traditional Name: 1-(2-chloro-6-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=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=C(C=CC=C4Cl)F

InChI

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