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

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1-(2-methoxy-5-nitro-benzyl)-1,4,7,10-tetrazacyclododecane Formula: C16H27N5O3 MolecularWeight: 337.41728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCNCCNCCNCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCNCCNCCNCC2

InChI

InChI=1S/C16H27N5O3/c1-24-16-3-2-15(21(22)23)12-14(16)13-20-10-8-18-6-4-17-5-7-19-9-11-20/h2-3,12,17-19H,4-11,13H2,1H3