2-phenyl-1H-imidazole; 2-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]propanenitrile

Systemtic Name: 2-phenyl-1H-imidazole; 2-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]propanenitrile Openeye Name: 2-phenyl-1H-imidazole; 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanenitrile CAS Name: 2-phenyl-1H-imidazole; 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanenitrile IUPAC Name: 2-phenyl-1H-imidazole; 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanenitrile Traditional Name: 2-phenyl-1H-imidazole; 2-(2,4,6-triketo-1,3,5-triazinan-1-yl)propionitrile Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C(=O)NC(=O)NC1=O.C1=CC=C(C=C1)C2=NC=CN2

Isomeric SMILES

CC(C#N)N1C(=O)NC(=O)NC1=O.C1=CC=C(C=C1)C2=NC=CN2

InChI

InChI=1S/C9H8N2.C6H6N4O3/c1-2-4-8(5-3-1)9-10-6-7-11-9;1-3(2-7)10-5(12)8-4(11)9-6(10)13/h1-7H,(H,10,11);3H,1H3,(H2,8,9,11,12,13)