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

Systemtic Name: 2-[2-ethoxy-4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-ethoxy-4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-ethoxy-4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-ethoxy-4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-ethoxy-4-[(E)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]phenoxy]acetonitrile Formula: C21H18IN3O3 MolecularWeight: 487.29039

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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)I)C)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18IN3O3/c1-3-27-20-13-15(4-9-19(20)28-11-10-23)12-18-14(2)24-25(21(18)26)17-7-5-16(22)6-8-17/h4-9,12-13H,3,11H2,1-2H3/b18-12+