(4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-1-propyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-1-propyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)C1=O)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

CCCN1C(=C(/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)/C1=O)[N+]4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H19ClN4O3/c1-3-11-26-20(28)18(19(22(26)30)25-12-5-4-6-13-25)17-14(2)24-27(21(17)29)16-9-7-15(23)8-10-16/h4-10,12-13H,3,11H2,1-2H3