2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanenitrile

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanenitrile Openeye Name: 2-[3-(3,4-dimethylphenyl)-6-oxo-pyridazin-1-yl]acetonitrile CAS Name: 2-[3-(3,4-dimethylphenyl)-6-oxo-1-pyridazinyl]acetonitrile IUPAC Name: 2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetonitrile Traditional Name: 2-[3-(3,4-dimethylphenyl)-6-keto-pyridazin-1-yl]acetonitrile Formula: C14H13N3O MolecularWeight: 239.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC#N)C

InChI

InChI=1S/C14H13N3O/c1-10-3-4-12(9-11(10)2)13-5-6-14(18)17(16-13)8-7-15/h3-6,9H,8H2,1-2H3