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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-5-oxidanylidene-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-5-oxo-1-propyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-propyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O3/c1-4-11-28-22(30)19(21(24(28)32)27-12-6-5-7-13-27)18-20(15(2)3)26-29(23(18)31)17-10-8-9-16(25)14-17/h5-10,12-15H,4,11H2,1-3H3