ethyl 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hydrogen phosphate

Systemtic Name: ethyl 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hydrogen phosphate Openeye Name: ethyl 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hydrogen phosphate CAS Name: ethyl 2-(2-methyl-5-nitro-1-imidazolyl)ethyl hydrogen phosphate IUPAC Name: ethyl 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hydrogen phosphate Traditional Name: ethyl 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hydrogen phosphate Formula: C8H14N3O6P MolecularWeight: 279.187021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(O)OCCN1C(=NC=C1[N+](=O)[O-])C

Isomeric SMILES

CCOP(=O)(O)OCCN1C(=NC=C1[N+](=O)[O-])C

InChI

InChI=1S/C8H14N3O6P/c1-3-16-18(14,15)17-5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3,(H,14,15)