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

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-6-ethoxy-4-[(Z)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-bromo-6-ethoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-bromo-6-ethoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-bromo-6-ethoxy-4-[(Z)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]phenoxy]acetonitrile Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O3/c1-4-28-20-13-16(12-19(23)21(20)29-10-9-24)11-18-15(3)25-26(22(18)27)17-7-5-14(2)6-8-17/h5-8,11-13H,4,10H2,1-3H3/b18-11-