(4E)-4-[1-(4-chlorophenyl)-3-ethyl-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-ethyl-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-ethyl-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-ethyl-5-oxo-4-pyrazolylidene]-5-oxo-1-propyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-propyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21ClN4O3/c1-3-12-27-21(29)19(20(23(27)31)26-13-6-5-7-14-26)18-17(4-2)25-28(22(18)30)16-10-8-15(24)9-11-16/h5-11,13-14H,3-4,12H2,1-2H3