sodium 2-[bis[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: sodium 2-[bis[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: sodium 2-[bis[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxo-ethyl]amino]acetate CAS Name: sodium 2-[bis[2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-2-oxoethyl]amino]acetate IUPAC Name: sodium 2-[bis[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-2-oxoethyl]amino]acetate Traditional Name: sodium 2-[bis[2-keto-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]ethyl]amino]acetate Formula: C18H22N7NaO10 MolecularWeight: 519.39795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CN(CC(=O)[O-])CC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CN(CC(=O)[O-])CC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C18H23N7O10.Na/c1-12-19-7-14(24(30)31)22(12)3-5-34-17(28)10-21(9-16(26)27)11-18(29)35-6-4-23-13(2)20-8-15(23)25(32)33;/h7-8H,3-6,9-11H2,1-2H3,(H,26,27);/q;+1/p-1