3-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 6-keto-3-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-4-methyl-1H-pyridazine-5-carbonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CC3=C(C(=C2)OC)OCO3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4/c1-9-11(7-17)16(20)19-18-12(9)4-3-10-5-13(21-2)15-14(6-10)22-8-23-15/h3-6H,8H2,1-2H3,(H,19,20)/b4-3+