4-[1-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylamino]benzoate

Systemtic Name: 4-[1-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylamino]benzoate Openeye Name: 4-[1-(2,4,6-trioxohexahydropyrimidin-5-ylidene)ethylamino]benzoate CAS Name: 4-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate IUPAC Name: 4-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate Traditional Name: 4-[1-(2,4,6-triketohexahydropyrimidin-5-ylidene)ethylamino]benzoate Formula: C13H10N3O5- MolecularWeight: 288.2356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)NC1=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(=C1C(=O)NC(=O)NC1=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H11N3O5/c1-6(9-10(17)15-13(21)16-11(9)18)14-8-4-2-7(3-5-8)12(19)20/h2-5,14H,1H3,(H,19,20)(H2,15,16,17,18,21)/p-1