3-[(4E)-4-[(2-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4E)-4-[(2-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4E)-4-[(2-bromo-4-isopropoxy-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4E)-4-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4E)-4-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4E)-4-(2-bromo-4-isopropoxy-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C18H20BrN3O3 MolecularWeight: 406.2737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC(C)C)OC)CCC#N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OC(C)C)OC)CCC#N

InChI

InChI=1S/C18H20BrN3O3/c1-11(2)25-17-10-15(19)13(9-16(17)24-4)8-14-12(3)21-22(18(14)23)7-5-6-20/h8-11H,5,7H2,1-4H3/b14-8+