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

Systemtic Name: 3-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=CC4=NNC(=O)C(=C4C)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C/C4=NNC(=O)C(=C4C)C#N

InChI

InChI=1S/C21H18N4O3/c1-12-8-15(4-6-18-13(2)17(10-22)21(26)24-23-18)14(3)25(12)16-5-7-19-20(9-16)28-11-27-19/h4-9H,11H2,1-3H3,(H,24,26)/b6-4+