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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-6-ethoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-ethoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]acetonitrile Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC#N

InChI

InChI=1S/C20H16BrN3O4/c1-2-27-17-12-13(11-16(21)18(17)28-9-8-22)10-15-19(25)23-24(20(15)26)14-6-4-3-5-7-14/h3-7,10-12H,2,9H2,1H3,(H,23,25)