1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-cyclohexyl-4-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H28Cl2N4O3 MolecularWeight: 539.45292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC(=C(C=C4)Cl)Cl)C(C)C)C5CCCCC5)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC(=C(C=C4)Cl)Cl)C(C)C)C5CCCCC5)[O-]

InChI

InChI=1S/C28H28Cl2N4O3/c1-16(2)24-22(27(36)34(31-24)19-11-12-20(29)21(30)14-19)23-25(32-13-7-8-17(3)15-32)28(37)33(26(23)35)18-9-5-4-6-10-18/h7-8,11-16,18H,4-6,9-10H2,1-3H3