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

Systemtic Name: 2-[2-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-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]-2-methoxy-phenoxy]acetonitrile Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c1-14-17(20(24)23(22-14)16-6-4-3-5-7-16)12-15-8-9-18(26-11-10-21)19(13-15)25-2/h3-9,12-13H,11H2,1-2H3/b17-12+