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1-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]azepane

1-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]azepane

Systemtic Name:1-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]azepane
Openeye Name:1-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]azepane
CAS Name:1-[2-nitro-4-(3-nitrophenyl)sulfonylphenyl]azepane
IUPAC Name:1-[2-nitro-4-(3-nitrophenyl)sulfonylphenyl]azepane
Traditional Name:1-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]azepane
Formula: C18H19N3O6S
MolecularWeight: 405.42496
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C18H19N3O6S/c22-20(23)14-6-5-7-15(12-14)28(26,27)16-8-9-17(18(13-16)21(24)25)19-10-3-1-2-4-11-19/h5-9,12-13H,1-4,10-11H2


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