3-[(4Z)-4-[(2-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4Z)-4-[(2-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4Z)-4-[(2-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4Z)-4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4Z)-4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4Z)-4-(2-bromo-4-ethoxy-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C17H18BrN3O3 MolecularWeight: 392.24712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3/c1-4-24-16-10-14(18)12(9-15(16)23-3)8-13-11(2)20-21(17(13)22)7-5-6-19/h8-10H,4-5,7H2,1-3H3/b13-8-