2-(5-ethanoyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl)-6-nitro-phenolate

Systemtic Name: 2-(5-ethanoyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl)-6-nitro-phenolate Openeye Name: 2-(5-acetyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl)-6-nitro-phenolate CAS Name: 2-(5-acetyl-6-methylene-2-oxo-1,3-diazinan-4-yl)-6-nitrophenolate IUPAC Name: 2-(5-acetyl-6-methylidene-2-oxo-1,3-diazinan-4-yl)-6-nitrophenolate Traditional Name: 2-(5-acetyl-2-keto-6-methylene-hexahydropyrimidin-4-yl)-6-nitro-phenolate Formula: C13H12N3O5- MolecularWeight: 290.25148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(NC(=O)NC1=C)C2=C(C(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(=O)C1C(NC(=O)NC1=C)C2=C(C(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H13N3O5/c1-6-10(7(2)17)11(15-13(19)14-6)8-4-3-5-9(12(8)18)16(20)21/h3-5,10-11,18H,1H2,2H3,(H2,14,15,19)/p-1