(2S)-2-azanyl-3-[5-nitro-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[5-nitro-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]propanoic acid Openeye Name: (2S)-2-amino-3-(5-nitro-2,4-dioxo-hexahydropyrimidin-1-yl)propanoic acid CAS Name: (2S)-2-amino-3-(5-nitro-2,4-dioxo-1,3-diazinan-1-yl)propanoic acid IUPAC Name: (2S)-2-amino-3-(5-nitro-2,4-dioxo-1,3-diazinan-1-yl)propanoic acid Traditional Name: (2S)-2-amino-3-(2,4-diketo-5-nitro-hexahydropyrimidin-1-yl)propionic acid Formula: C7H10N4O6 MolecularWeight: 246.1775

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(=O)N1CC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C7H10N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h3-4H,1-2,8H2,(H,13,14)(H,9,12,15)/t3-,4?/m0/s1