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

Systemtic Name: methyl 4-[1-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylamino]benzoate Openeye Name: methyl 4-[1-(2,4,6-trioxohexahydropyrimidin-5-ylidene)ethylamino]benzoate CAS Name: 4-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate Traditional Name: 4-[1-(2,4,6-triketohexahydropyrimidin-5-ylidene)ethylamino]benzoic acid methyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)NC1=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=C1C(=O)NC(=O)NC1=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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