3-[(4Z)-4-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4Z)-4-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4Z)-4-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4Z)-4-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4Z)-4-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4Z)-4-(4-allyloxy-3-iodo-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C18H18IN3O3 MolecularWeight: 451.25829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18IN3O3/c1-4-8-25-17-15(19)10-13(11-16(17)24-3)9-14-12(2)21-22(18(14)23)7-5-6-20/h4,9-11H,1,5,7-8H2,2-3H3/b14-9-