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

Systemtic Name: 4-bromanyl-2-nitro-6-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenolate Openeye Name: 4-bromo-2-nitro-6-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenolate CAS Name: 4-bromo-2-nitro-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenolate IUPAC Name: 4-bromo-2-nitro-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenolate Traditional Name: 4-bromo-2-nitro-6-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenolate Formula: C11H5BrN3O6- MolecularWeight: 355.0779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])C=C2C(=O)NC(=O)NC2=O)Br

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])C=C2C(=O)NC(=O)NC2=O)Br

InChI

InChI=1S/C11H6BrN3O6/c12-5-1-4(8(16)7(3-5)15(20)21)2-6-9(17)13-11(19)14-10(6)18/h1-3,16H,(H2,13,14,17,18,19)/p-1