(4S,5S)-5-nitro-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylic acid

Systemtic Name: (4S,5S)-5-nitro-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylic acid Openeye Name: (4S,5S)-5-nitro-2,6-dioxo-hexahydropyrimidine-4-carboxylic acid CAS Name: (4S,5S)-5-nitro-2,6-dioxo-1,3-diazinane-4-carboxylic acid IUPAC Name: (4S,5S)-5-nitro-2,6-dioxo-1,3-diazinane-4-carboxylic acid Traditional Name: (4S,5S)-2,6-diketo-5-nitro-hexahydropyrimidine-4-carboxylic acid Formula: C5H5N3O6 MolecularWeight: 203.1097

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

[C@@H]1([C@H](NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C5H5N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h1-2H,(H,10,11)(H2,6,7,9,12)/t1-,2-/m0/s1