2-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-(4-bromo-2,5-dimethoxy-benzyl)-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C16H16BrN3O3 MolecularWeight: 378.22054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC2=CC(=C(C=C2OC)Br)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC2=CC(=C(C=C2OC)Br)OC)C#N

InChI

InChI=1S/C16H16BrN3O3/c1-9-10(2)19-20(16(21)12(9)7-18)8-11-5-15(23-4)13(17)6-14(11)22-3/h5-6H,8H2,1-4H3