1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(2-methoxy-5-nitrophenoxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(2-methoxy-5-nitrophenoxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(2-methoxy-5-nitro-phenoxy)-3-nitro-phenyl]sulfonylazepane Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c1-29-18-8-6-14(21(23)24)12-19(18)30-17-9-7-15(13-16(17)22(25)26)31(27,28)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11H2,1H3