1-(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-(2-nitro-1-imidazolyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane Formula: C13H25N7O2 MolecularWeight: 311.3833

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)N2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

C1CNCCNCCCN(CCNC1)N2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C13H25N7O2/c21-20(22)13-17-9-12-19(13)18-10-2-5-15-7-6-14-3-1-4-16-8-11-18/h9,12,14-16H,1-8,10-11H2