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

Systemtic Name: 2-[2-ethoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-ethoxy-4-[(Z)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-ethoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-ethoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-ethoxy-4-[(Z)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]phenoxy]acetonitrile Formula: C22H21N3O3 MolecularWeight: 375.42044

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-4-27-21-14-17(7-10-20(21)28-12-11-23)13-19-16(3)24-25(22(19)26)18-8-5-15(2)6-9-18/h5-10,13-14H,4,12H2,1-3H3/b19-13-