2-bromanyl-6-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-4-nitrophenolate Traditional Name: 2-bromo-4-nitro-6-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)methyl]phenolate Formula: C13H9BrN3O6- MolecularWeight: 383.13106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C13H10BrN3O6/c1-15-11(19)8(12(20)16(2)13(15)21)4-6-3-7(17(22)23)5-9(14)10(6)18/h3-5,18H,1-2H3/p-1