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2-(azepan-1-yl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]aniline

2-(azepan-1-yl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]aniline

Systemtic Name:2-(azepan-1-yl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]aniline
Openeye Name:2-(azepan-1-yl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]aniline
CAS Name:2-(1-azepanyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]aniline
IUPAC Name:2-(azepan-1-yl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]aniline
Traditional Name:[2-(azepan-1-yl)phenyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine
Formula: C21H25N3O4
MolecularWeight: 383.4409
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4


Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4


InChI

InChI=1S/C21H25N3O4/c25-24(26)18-11-16(21-17(12-18)14-27-15-28-21)13-22-19-7-3-4-8-20(19)23-9-5-1-2-6-10-23/h3-4,7-8,11-12,22H,1-2,5-6,9-10,13-15H2


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