3-[3-(2-carboxyethyl)-5-(hydroxymethyl)-5-nitro-1,3-diazinan-1-yl]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-5-(hydroxymethyl)-5-nitro-1,3-diazinan-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-5-(hydroxymethyl)-5-nitro-hexahydropyrimidin-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-5-(hydroxymethyl)-5-nitro-1,3-diazinan-1-yl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-5-(hydroxymethyl)-5-nitro-1,3-diazinan-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-5-methylol-5-nitro-hexahydropyrimidin-1-yl]propionic acid Formula: C11H19N3O7 MolecularWeight: 305.28446

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CN1CCC(=O)O)CCC(=O)O)(CO)[N+](=O)[O-]

Isomeric SMILES

C1C(CN(CN1CCC(=O)O)CCC(=O)O)(CO)[N+](=O)[O-]

InChI

InChI=1S/C11H19N3O7/c15-7-11(14(20)21)5-12(3-1-9(16)17)8-13(6-11)4-2-10(18)19/h15H,1-8H2,(H,16,17)(H,18,19)