3-methoxy-4-[4-oxidanylidene-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]butoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-oxo-4-(2,4,6-trioxohexahydropyrimidin-5-yl)butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-oxo-4-(2,4,6-trioxo-1,3-diazinan-5-yl)butoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-oxo-4-(2,4,6-trioxo-1,3-diazinan-5-yl)butoxy]benzonitrile Traditional Name: 4-[4-keto-4-(2,4,6-triketohexahydropyrimidin-5-yl)butoxy]-3-methoxy-benzonitrile Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)C2C(=O)NC(=O)NC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C16H15N3O6/c1-24-12-7-9(8-17)4-5-11(12)25-6-2-3-10(20)13-14(21)18-16(23)19-15(13)22/h4-5,7,13H,2-3,6H2,1H3,(H2,18,19,21,22,23)