3-[2,4,6-tris(oxidanylidene)-3-phenyl-1,3-diazinan-1-yl]propanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)CCC#N

Isomeric SMILES

C1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C13H11N3O3/c14-7-4-8-15-11(17)9-12(18)16(13(15)19)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2