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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-3-bromanyl-2-chloranyl-6-ethoxy-phenoxy]ethanenitrile Openeye Name: 2-[3-bromo-2-chloro-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]acetonitrile CAS Name: 2-[3-bromo-2-chloro-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-ethoxyphenoxy]acetonitrile IUPAC Name: 2-[3-bromo-2-chloro-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]acetonitrile Traditional Name: 2-[3-bromo-2-chloro-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]acetonitrile Formula: C20H15BrClN3O4 MolecularWeight: 476.7078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrClN3O4/c1-2-28-15-11-12(16(21)17(22)18(15)29-9-8-23)10-14-19(26)24-25(20(14)27)13-6-4-3-5-7-13/h3-7,10-11H,2,9H2,1H3,(H,24,26)