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

Systemtic Name: 4-methoxy-2-nitro-6-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenolate Openeye Name: 4-methoxy-2-nitro-6-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenolate CAS Name: 4-methoxy-2-nitro-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenolate IUPAC Name: 4-methoxy-2-nitro-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenolate Traditional Name: 4-methoxy-2-nitro-6-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenolate Formula: C12H8N3O7- MolecularWeight: 306.20782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O7/c1-22-6-2-5(9(16)8(4-6)15(20)21)3-7-10(17)13-12(19)14-11(7)18/h2-4,16H,1H3,(H2,13,14,17,18,19)/p-1