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

Systemtic Name: 2-[3-(4-nitrophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanenitrile Openeye Name: 2-[3-(4-nitrophenyl)-6-oxo-pyridazin-1-yl]acetonitrile CAS Name: 2-[3-(4-nitrophenyl)-6-oxo-1-pyridazinyl]acetonitrile IUPAC Name: 2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetonitrile Traditional Name: 2-[6-keto-3-(4-nitrophenyl)pyridazin-1-yl]acetonitrile Formula: C12H8N4O3 MolecularWeight: 256.21692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=O)C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O3/c13-7-8-15-12(17)6-5-11(14-15)9-1-3-10(4-2-9)16(18)19/h1-6H,8H2