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

Systemtic Name: 4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]benzonitrile CAS Name: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile IUPAC Name: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile Traditional Name: 4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]benzonitrile Formula: C12H7N3O3 MolecularWeight: 241.20228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)C#N

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)C#N

InChI

InChI=1S/C12H7N3O3/c13-6-8-3-1-7(2-4-8)5-9-10(16)14-12(18)15-11(9)17/h1-5H,(H2,14,15,16,17,18)