1-[4-(4-chloranyl-2-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(4-chloro-2-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(4-chloro-2-nitrophenoxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(4-chloro-2-nitrophenoxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(4-chloro-2-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O7S/c19-13-5-7-17(15(11-13)21(23)24)29-18-8-6-14(12-16(18)22(25)26)30(27,28)20-9-3-1-2-4-10-20/h5-8,11-12H,1-4,9-10H2