2-[[2-bromanyl-4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-bromanyl-4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-bromo-4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[2-bromo-4-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-bromo-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-bromo-4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]benzonitrile Formula: C25H18BrN3O2 MolecularWeight: 472.33332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrN3O2/c1-17-22(25(30)29(28-17)21-9-3-2-4-10-21)13-18-11-12-24(23(26)14-18)31-16-20-8-6-5-7-19(20)15-27/h2-14H,16H2,1H3/b22-13-