2-[[2-[[2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]-4-bromanyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[[2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]-4-bromanyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-bromo-2-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-bromo-2-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-bromo-2-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-bromo-2-[(2,5-diketoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=O)N3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=O)N3)C#N

InChI

InChI=1S/C18H12BrN3O3/c19-14-5-6-16(25-10-12-4-2-1-3-11(12)9-20)13(7-14)8-15-17(23)22-18(24)21-15/h1-8H,10H2,(H2,21,22,23,24)