5-[(2-nitrophenyl)methylidene]-4,6-bis(oxidanylidene)-1,3-diazinane-2-carboxylic acid

Systemtic Name: 5-[(2-nitrophenyl)methylidene]-4,6-bis(oxidanylidene)-1,3-diazinane-2-carboxylic acid Openeye Name: 5-[(2-nitrophenyl)methylene]-4,6-dioxo-hexahydropyrimidine-2-carboxylic acid CAS Name: 5-[(2-nitrophenyl)methylidene]-4,6-dioxo-1,3-diazinane-2-carboxylic acid IUPAC Name: 5-[(2-nitrophenyl)methylidene]-4,6-dioxo-1,3-diazinane-2-carboxylic acid Traditional Name: 4,6-diketo-5-(2-nitrobenzylidene)hexahydropyrimidine-2-carboxylic acid Formula: C12H9N3O6 MolecularWeight: 291.21636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)NC(NC2=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=C2C(=O)NC(NC2=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O6/c16-10-7(11(17)14-9(13-10)12(18)19)5-6-3-1-2-4-8(6)15(20)21/h1-5,9H,(H,13,16)(H,14,17)(H,18,19)