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

Systemtic Name: 2-[4-bromanyl-2-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-bromo-2-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[4-bromo-2-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-bromo-2-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[4-bromo-2-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetonitrile Formula: C19H14BrN3O2 MolecularWeight: 396.23736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC#N)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OCC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H14BrN3O2/c1-13-17(19(24)23(22-13)16-5-3-2-4-6-16)12-14-11-15(20)7-8-18(14)25-10-9-21/h2-8,11-12H,10H2,1H3/b17-12+