2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2,6-dimethoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2,6-dimethoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2,6-dimethoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2,6-dimethoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2,6-dimethoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2,6-dimethoxy-phenoxy]acetonitrile Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC#N)OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OCC#N)OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O5/c1-26-16-11-13(12-17(27-2)18(16)28-9-8-21)10-15-19(24)22-23(20(15)25)14-6-4-3-5-7-14/h3-7,10-12H,9H2,1-2H3,(H,22,24)