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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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