3-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C15H10BrN3O3 MolecularWeight: 360.1622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CC3=C(C=C2Br)OCO3)C#N

InChI

InChI=1S/C15H10BrN3O3/c1-8-10(6-17)15(20)19-18-12(8)3-2-9-4-13-14(5-11(9)16)22-7-21-13/h2-5H,7H2,1H3,(H,19,20)/b3-2+