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

Systemtic Name: 5-bromanyl-2-methoxy-4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenolate Openeye Name: 5-bromo-2-methoxy-4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenolate CAS Name: 5-bromo-2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenolate IUPAC Name: 5-bromo-2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenolate Traditional Name: 5-bromo-2-methoxy-4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenolate Formula: C12H8BrN2O5- MolecularWeight: 340.10632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)Br)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)Br)[O-]

InChI

InChI=1S/C12H9BrN2O5/c1-20-9-3-5(7(13)4-8(9)16)2-6-10(17)14-12(19)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,19)/p-1