4-[(2Z)-2-[1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]hydrazinyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-[1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]hydrazinyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-[1-(1-oxidopyridin-1-ium-3-carbonyl)-5-oxo-3-propyl-pyrazol-4-ylidene]hydrazino]benzonitrile CAS Name: 4-[(2Z)-2-[1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-5-oxo-3-propyl-4-pyrazolylidene]hydrazinyl]benzonitrile IUPAC Name: 4-[(2Z)-2-[1-(1-oxidopyridin-1-ium-3-carbonyl)-5-oxo-3-propylpyrazol-4-ylidene]hydrazinyl]benzonitrile Traditional Name: 4-[(N'Z)-N'-[5-keto-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-propyl-2-pyrazolin-4-ylidene]hydrazino]benzonitrile Formula: C19H16N6O3 MolecularWeight: 376.36874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C#N)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)C#N)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H16N6O3/c1-2-4-16-17(22-21-15-8-6-13(11-20)7-9-15)19(27)25(23-16)18(26)14-5-3-10-24(28)12-14/h3,5-10,12,21H,2,4H2,1H3/b22-17-