2-[2-iodanyl-6-methoxy-4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-iodanyl-6-methoxy-4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-iodo-6-methoxy-4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-iodo-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-iodo-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[2-iodo-6-methoxy-4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile Formula: C14H10IN3O5 MolecularWeight: 427.15077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10IN3O5/c1-22-10-6-7(5-9(15)11(10)23-3-2-16)4-8-12(19)17-14(21)18-13(8)20/h4-6H,3H2,1H3,(H2,17,18,19,20,21)