8-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C14H9N2O7- MolecularWeight: 317.23046

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C=C3C(=O)NC(=O)NC3=O)C(=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)C=C3C(=O)NC(=O)NC3=O)C(=O)[O-]

InChI

InChI=1S/C14H10N2O7/c17-11-9(12(18)16-14(21)15-11)3-6-1-7(13(19)20)2-8-4-22-5-23-10(6)8/h1-3H,4-5H2,(H,19,20)(H2,15,16,17,18,21)/p-1