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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperazine Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperazine CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenylpiperazine IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenylpiperazine Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperazine Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O4/c23-22(24)18-10-15(19-16(11-18)13-25-14-26-19)12-20-6-8-21(9-7-20)17-4-2-1-3-5-17/h1-5,10-11H,6-9,12-14H2