4-[[2-ethyl-6-(1-oxidanidylpyridin-1-ium-3-yl)-3-oxidanylidene-pyridazin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-ethyl-6-(1-oxidanidylpyridin-1-ium-3-yl)-3-oxidanylidene-pyridazin-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-ethyl-6-(1-oxidopyridin-1-ium-3-yl)-3-oxo-pyridazin-4-yl]amino]benzonitrile CAS Name: 4-[[2-ethyl-6-(1-oxido-3-pyridin-1-iumyl)-3-oxo-4-pyridazinyl]amino]benzonitrile IUPAC Name: 4-[[2-ethyl-6-(1-oxidopyridin-1-ium-3-yl)-3-oxopyridazin-4-yl]amino]benzonitrile Traditional Name: 4-[[2-ethyl-3-keto-6-(1-oxidopyridin-1-ium-3-yl)pyridazin-4-yl]amino]benzonitrile Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C2=C[N+](=CC=C2)[O-])NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C2=C[N+](=CC=C2)[O-])NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N5O2/c1-2-23-18(24)17(20-15-7-5-13(11-19)6-8-15)10-16(21-23)14-4-3-9-22(25)12-14/h3-10,12,20H,2H2,1H3