2-[2-bromanyl-6-ethoxy-4-[(Z)-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[(Z)-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-6-ethoxy-4-[(Z)-(5-oxo-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-bromo-6-ethoxy-4-[(Z)-(5-oxo-1,3-diphenyl-4-pyrazolylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-bromo-6-ethoxy-4-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[2-bromo-6-ethoxy-4-[(Z)-(5-keto-1,3-diphenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetonitrile Formula: C26H20BrN3O3 MolecularWeight: 502.3593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC#N

InChI

InChI=1S/C26H20BrN3O3/c1-2-32-23-17-18(16-22(27)25(23)33-14-13-28)15-21-24(19-9-5-3-6-10-19)29-30(26(21)31)20-11-7-4-8-12-20/h3-12,15-17H,2,14H2,1H3/b21-15-