3-[(E)-2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(3-bromo-5-methoxy-4-propoxy-phenyl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-(3-bromo-5-methoxy-4-propoxyphenyl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-(3-bromo-5-methoxy-4-propoxyphenyl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-(3-bromo-5-methoxy-4-propoxy-phenyl)vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=CC2=NNC(=O)C(=C2C)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C/C2=NNC(=O)C(=C2C)C#N)OC

InChI

InChI=1S/C18H18BrN3O3/c1-4-7-25-17-14(19)8-12(9-16(17)24-3)5-6-15-11(2)13(10-20)18(23)22-21-15/h5-6,8-9H,4,7H2,1-3H3,(H,22,23)/b6-5+