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

Systemtic Name: 3-[3-(2-carboxyethyl)-5-methyl-5-nitro-1,3-diazinan-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-5-methyl-5-nitro-hexahydropyrimidin-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-5-methyl-5-nitro-1,3-diazinan-1-yl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-5-methyl-5-nitro-1,3-diazinan-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-5-methyl-5-nitro-hexahydropyrimidin-1-yl]propionic acid Formula: C11H19N3O6 MolecularWeight: 289.28506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CN(C1)CCC(=O)O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1(CN(CN(C1)CCC(=O)O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H19N3O6/c1-11(14(19)20)6-12(4-2-9(15)16)8-13(7-11)5-3-10(17)18/h2-8H2,1H3,(H,15,16)(H,17,18)