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

Systemtic Name: 4-bromanyl-2-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-nitrophenolate Traditional Name: 4-bromo-2-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-])[N+](=O)[O-])Br)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)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(14)5-9(10(6)18)17(22)23/h3-5,18H,1-2H3/p-1