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

Systemtic Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-propylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-propyl-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=C(C=C3)Cl)CC)C1=O)[N+]4=CC=CC(=C4)C)[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)C)[O-]

InChI

InChI=1S/C24H23ClN4O3/c1-4-12-28-22(30)20(21(24(28)32)27-13-6-7-15(3)14-27)19-18(5-2)26-29(23(19)31)17-10-8-16(25)9-11-17/h6-11,13-14H,4-5,12H2,1-3H3