1-(2-methoxy-5-nitro-phenyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1-(2-methoxy-5-nitro-phenyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1-(2-methoxy-5-nitrophenyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-(2-methoxy-5-nitrophenyl)-1,4,7,10-tetrazacyclododecane Traditional Name: 1-(2-methoxy-5-nitro-phenyl)-1,4,7,10-tetrazacyclododecane Formula: C15H25N5O3 MolecularWeight: 323.3907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCNCCNCCNCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCNCCNCCNCC2

InChI

InChI=1S/C15H25N5O3/c1-23-15-3-2-13(20(21)22)12-14(15)19-10-8-17-6-4-16-5-7-18-9-11-19/h2-3,12,16-18H,4-11H2,1H3