methanone; 1-[2-(4-nitroimidazol-1-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane; technetium-99

Systemtic Name: methanone; 1-[2-(4-nitroimidazol-1-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane; technetium-99 Openeye Name: methanone; 1-[2-(4-nitroimidazol-1-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane; technetium-99 CAS Name: methanone; 1-[2-(4-nitro-1-imidazolyl)ethyl]-1,4,8,11-tetrazacyclotetradecane; technetium-99 IUPAC Name: methanone; 1-[2-(4-nitroimidazol-1-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane; technetium-99 Traditional Name: methanone; 1-[2-(4-nitroimidazol-1-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane; technetium-99 Formula: C18H32N7O5Tc-3 MolecularWeight: 525.396835

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]=O.[CH-]=O.[CH-]=O.C1CNCCNCCCN(CCNC1)CCN2C=C(N=C2)[N+](=O)[O-].[Tc]

Isomeric SMILES

[CH-]=O.[CH-]=O.[CH-]=O.C1CNCCNCCCN(CCNC1)CCN2C=C(N=C2)[N+](=O)[O-].[99Tc]

InChI

InChI=1S/C15H29N7O2.3CHO.Tc/c23-22(24)15-13-21(14-19-15)12-11-20-9-2-5-17-7-6-16-3-1-4-18-8-10-20;3*1-2;/h13-14,16-18H,1-12H2;3*1H;/q;3*-1;/i;;;;1+1