2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododecane CAS Name: 2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododecane Traditional Name: 2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododecane Formula: C28H46N10O4 MolecularWeight: 586.72944

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(CNCCN1)C2=CC=C(C=C2)[N+](=O)[O-].C1CNCCNC(CNCCN1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCNC(CNCCN1)C2=CC=C(C=C2)[N+](=O)[O-].C1CNCCNC(CNCCN1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/2C14H23N5O2/c2*20-19(21)13-3-1-12(2-4-13)14-11-17-8-7-15-5-6-16-9-10-18-14/h2*1-4,14-18H,5-11H2