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

Systemtic Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-cyclohexyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-1-cyclohexyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-1-cyclohexyl-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-cyclohexyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-1-cyclohexyl-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC(=C4)C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC(=C4)C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H27ClN4O3/c1-3-21-22(26(34)32(29-21)20-13-11-18(28)12-14-20)23-24(30-15-7-8-17(2)16-30)27(35)31(25(23)33)19-9-5-4-6-10-19/h7-8,11-16,19H,3-6,9-10H2,1-2H3