3-[(4Z)-4-[(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4Z)-4-[(3-ethoxy-5-iodo-4-isopropoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4Z)-4-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4Z)-4-(3-ethoxy-5-iodo-4-isopropoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C19H22IN3O3 MolecularWeight: 467.30075

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)CCC#N)C)I)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22IN3O3/c1-5-25-17-11-14(10-16(20)18(17)26-12(2)3)9-15-13(4)22-23(19(15)24)8-6-7-21/h9-12H,5-6,8H2,1-4H3/b15-9-