2-bromanyl-6-[(4R,5S)-5-methoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[(4R,5S)-5-methoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[(4R,5S)-5-methoxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-bromo-6-[(4R,5S)-5-methoxycarbonyl-6-methylene-2-oxo-1,3-diazinan-4-yl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[(4R,5S)-5-methoxycarbonyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]-4-nitrophenolate Traditional Name: 2-bromo-6-[(4R,5S)-5-carbomethoxy-2-keto-6-methylene-hexahydropyrimidin-4-yl]-4-nitro-phenolate Formula: C13H11BrN3O6- MolecularWeight: 385.14694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O6/c1-5-9(12(19)23-2)10(16-13(20)15-5)7-3-6(17(21)22)4-8(14)11(7)18/h3-4,9-10,18H,1H2,2H3,(H2,15,16,20)/p-1/t9-,10+/m1/s1