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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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