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

Systemtic Name: 4-[1-[2,4,6-tris(oxidanylidene)-1-prop-2-enyl-1,3-diazinan-5-ylidene]propylamino]benzoate Openeye Name: 4-[1-(1-allyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)propylamino]benzoate CAS Name: 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)propylamino]benzoate IUPAC Name: 4-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)propylamino]benzoate Traditional Name: 4-[1-(1-allyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)propylamino]benzoate Formula: C17H16N3O5- MolecularWeight: 342.32604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-3-9-20-15(22)13(14(21)19-17(20)25)12(4-2)18-11-7-5-10(6-8-11)16(23)24/h3,5-8,18H,1,4,9H2,2H3,(H,23,24)(H,19,21,25)/p-1