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

Systemtic Name: 4-[1-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]propylamino]benzoate Openeye Name: 4-[1-(2,4,6-trioxohexahydropyrimidin-5-ylidene)propylamino]benzoate CAS Name: 4-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate IUPAC Name: 4-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate Traditional Name: 4-[1-(2,4,6-triketohexahydropyrimidin-5-ylidene)propylamino]benzoate Formula: C14H12N3O5- MolecularWeight: 302.26218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-2-9(10-11(18)16-14(22)17-12(10)19)15-8-5-3-7(4-6-8)13(20)21/h3-6,15H,2H2,1H3,(H,20,21)(H2,16,17,18,19,22)/p-1