3-azanyl-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-4-oxidanylidene-butanoate; oxygen(2-); technetium-99(4+)

Systemtic Name: 3-azanyl-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-4-oxidanylidene-butanoate; oxygen(2-); technetium-99(4+) Openeye Name: 3-amino-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-4-oxo-butanoate; oxygen(2-); technetium-99(4+) CAS Name: 3-amino-4-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]-4-oxobutanoate; oxygen(2-); technetium-99(4+) IUPAC Name: 3-amino-4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]-4-oxobutanoate; oxygen(2-); technetium-99(4+) Traditional Name: 3-amino-4-keto-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]butyrate; oxygen(2-); technetium-99(4+) Formula: C20H28N10O11Tc MolecularWeight: 683.402975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)C(CC(=O)[O-])N)[N+](=O)[O-].CC1=NC=C(N1CCNC(=O)C(CC(=O)[O-])N)[N+](=O)[O-].[O-2].[Tc+4]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)C(CC(=O)[O-])N)[N+](=O)[O-].CC1=NC=C(N1CCNC(=O)C(CC(=O)[O-])N)[N+](=O)[O-].[O-2].[99Tc+4]

InChI

InChI=1S/2C10H15N5O5.O.Tc/c2*1-6-13-5-8(15(19)20)14(6)3-2-12-10(18)7(11)4-9(16)17;;/h2*5,7H,2-4,11H2,1H3,(H,12,18)(H,16,17);;/q;;-2;+4/p-2/i;;;1+1