2-[[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile Formula: C24H16BrN3O3 MolecularWeight: 474.30614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4C#N)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4C#N)C(=O)N2

InChI

InChI=1S/C24H16BrN3O3/c25-19-10-11-22(31-15-17-7-5-4-6-16(17)14-26)18(12-19)13-21-23(29)27-28(24(21)30)20-8-2-1-3-9-20/h1-13H,15H2,(H,27,29)