3-[3-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenecarbonitrile

Systemtic Name: 3-[3-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(3-ethyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)benzonitrile CAS Name: 3-(3-ethyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzonitrile IUPAC Name: 3-(3-ethyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzonitrile Traditional Name: 3-(3-ethyl-2,4,6-triketo-hexahydropyrimidin-1-yl)benzonitrile Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(=O)N(C1=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCN1C(=O)CC(=O)N(C1=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H11N3O3/c1-2-15-11(17)7-12(18)16(13(15)19)10-5-3-4-9(6-10)8-14/h3-6H,2,7H2,1H3