2-[3-(2-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanenitrile

Systemtic Name: 2-[3-(2-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanenitrile Openeye Name: 2-[3-(o-tolyl)-6-oxo-pyridazin-1-yl]acetonitrile CAS Name: 2-[3-(2-methylphenyl)-6-oxo-1-pyridazinyl]acetonitrile IUPAC Name: 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetonitrile Traditional Name: 2-[6-keto-3-(o-tolyl)pyridazin-1-yl]acetonitrile Formula: C13H11N3O MolecularWeight: 225.24594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC#N

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC#N

InChI

InChI=1S/C13H11N3O/c1-10-4-2-3-5-11(10)12-6-7-13(17)16(15-12)9-8-14/h2-7H,9H2,1H3