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

Systemtic Name: 3-[3-(2-carboxyethyl)-5-nitro-1,3-diazinan-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-5-nitro-hexahydropyrimidin-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-5-nitro-1,3-diazinan-1-yl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-5-nitro-1,3-diazinan-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-5-nitro-hexahydropyrimidin-1-yl]propionic acid Formula: C10H17N3O6 MolecularWeight: 275.25848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3O6/c14-9(15)1-3-11-5-8(13(18)19)6-12(7-11)4-2-10(16)17/h8H,1-7H2,(H,14,15)(H,16,17)