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

Systemtic Name: 3-[(E)-2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C16H12ClN3O3 MolecularWeight: 329.73778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CC3=C(C(=C2)Cl)OCCO3)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CC3=C(C(=C2)Cl)OCCO3)C#N

InChI

InChI=1S/C16H12ClN3O3/c1-9-11(8-18)16(21)20-19-13(9)3-2-10-6-12(17)15-14(7-10)22-4-5-23-15/h2-3,6-7H,4-5H2,1H3,(H,20,21)/b3-2+