(4E)-4-[1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-1-propyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-1-propyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C22H18Cl2N4O3 MolecularWeight: 457.30932

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H18Cl2N4O3/c1-3-9-27-20(29)18(19(22(27)31)26-10-5-4-6-11-26)17-13(2)25-28(21(17)30)14-7-8-15(23)16(24)12-14/h4-8,10-12H,3,9H2,1-2H3