methyl (4R,5S)-4-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5S)-4-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(3-bromo-2-hydroxy-5-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-bromo-2-hydroxy-5-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(3-bromo-2-hydroxy-5-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3-bromo-2-hydroxy-5-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H12BrN3O6 MolecularWeight: 386.15488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC(=C2O)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC(=C2O)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)/t9-,10+/m1/s1