3-(4-nitrophenoxy)-1-[2-(4-nitrophenyl)ethyl]azepane

Systemtic Name: 3-(4-nitrophenoxy)-1-[2-(4-nitrophenyl)ethyl]azepane Openeye Name: 3-(4-nitrophenoxy)-1-[2-(4-nitrophenyl)ethyl]azepane CAS Name: 3-(4-nitrophenoxy)-1-[2-(4-nitrophenyl)ethyl]azepane IUPAC Name: 3-(4-nitrophenoxy)-1-[2-(4-nitrophenyl)ethyl]azepane Traditional Name: 3-(4-nitrophenoxy)-1-[2-(4-nitrophenyl)ethyl]azepane Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)OC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC(C1)OC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c24-22(25)17-6-4-16(5-7-17)12-14-21-13-2-1-3-20(15-21)28-19-10-8-18(9-11-19)23(26)27/h4-11,20H,1-3,12-15H2