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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile Formula: C19H14BrN3O4 MolecularWeight: 428.23616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC#N

InChI

InChI=1S/C19H14BrN3O4/c1-26-16-11-12(10-15(20)17(16)27-8-7-21)9-14-18(24)22-23(19(14)25)13-5-3-2-4-6-13/h2-6,9-11H,8H2,1H3,(H,22,24)