2-[[4-[[2,5-bis(oxidanylidene)-1-prop-2-enyl-imidazolidin-4-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[[2,5-bis(oxidanylidene)-1-prop-2-enyl-imidazolidin-4-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(1-allyl-2,5-dioxo-imidazolidin-4-ylidene)methyl]-2-bromo-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-bromo-4-[(2,5-dioxo-1-prop-2-enyl-4-imidazolidinylidene)methyl]-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-bromo-4-[(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(1-allyl-2,5-diketo-imidazolidin-4-ylidene)methyl]-2-bromo-6-methoxy-phenoxy]methyl]benzonitrile Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)N2)CC=C)Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)N2)CC=C)Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H18BrN3O4/c1-3-8-26-21(27)18(25-22(26)28)10-14-9-17(23)20(19(11-14)29-2)30-13-16-7-5-4-6-15(16)12-24/h3-7,9-11H,1,8,13H2,2H3,(H,25,28)