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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetonitrile Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCC#N)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCC#N)C(=O)N2

InChI

InChI=1S/C18H13N3O3/c19-10-11-24-16-9-5-4-6-13(16)12-15-17(22)20-21(18(15)23)14-7-2-1-3-8-14/h1-9,12H,11H2,(H,20,22)