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

Systemtic Name: 1,4,8,11-tetrakis(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,4,8,11-tetrakis(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,4,8,11-tetrakis(2-nitro-1-imidazolyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,4,8,11-tetrakis(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,4,8,11-tetrakis(2-nitroimidazol-1-yl)-1,4,8,11-tetrazacyclotetradecane Formula: C22H28N16O8 MolecularWeight: 644.56012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)N2C=CN=C2[N+](=O)[O-])N3C=CN=C3[N+](=O)[O-])N4C=CN=C4[N+](=O)[O-])N5C=CN=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)N2C=CN=C2[N+](=O)[O-])N3C=CN=C3[N+](=O)[O-])N4C=CN=C4[N+](=O)[O-])N5C=CN=C5[N+](=O)[O-]

InChI

InChI=1S/C22H28N16O8/c39-35(40)19-23-3-11-31(19)27-7-1-8-28(32-12-4-24-20(32)36(41)42)16-18-30(34-14-6-26-22(34)38(45)46)10-2-9-29(17-15-27)33-13-5-25-21(33)37(43)44/h3-6,11-14H,1-2,7-10,15-18H2