dimethyl 1-(2-phosphonooxyethyl)imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(2-phosphonooxyethyl)imidazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(2-phosphonooxyethyl)imidazole-4,5-dicarboxylate CAS Name: 1-(2-phosphonooxyethyl)imidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(2-phosphonooxyethyl)imidazole-4,5-dicarboxylate Traditional Name: 1-(2-phosphonooxyethyl)imidazole-4,5-dicarboxylic acid dimethyl ester Formula: C9H13N2O8P MolecularWeight: 308.181881

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C=N1)CCOP(=O)(O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C=N1)CCOP(=O)(O)O)C(=O)OC

InChI

InChI=1S/C9H13N2O8P/c1-17-8(12)6-7(9(13)18-2)11(5-10-6)3-4-19-20(14,15)16/h5H,3-4H2,1-2H3,(H2,14,15,16)