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

Systemtic Name: 2-[4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetonitrile Formula: C19H15N3O2 MolecularWeight: 317.3413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O2/c1-14-18(13-15-7-9-17(10-8-15)24-12-11-20)19(23)22(21-14)16-5-3-2-4-6-16/h2-10,13H,12H2,1H3/b18-13+