1,7-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,7-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1,7-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1,7-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,7-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1,7-bis(4-nitrobenzyl)-1,4,7,10-tetrazacyclododecane Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNCCN(CCN1)CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCNCCN(CCN1)CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O4/c29-27(30)21-5-1-19(2-6-21)17-25-13-9-23-11-15-26(16-12-24-10-14-25)18-20-3-7-22(8-4-20)28(31)32/h1-8,23-24H,9-18H2