4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-(4-methoxyphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H25ClN4O4 MolecularWeight: 528.9862

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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)C(C)C)C5=CC=C(C=C5)OC)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C5=CC=C(C=C5)OC)[O-]

InChI

InChI=1S/C29H25ClN4O4/c1-17(2)25-23(28(36)34(31-25)21-9-7-19(30)8-10-21)24-26(32-15-5-6-18(3)16-32)29(37)33(27(24)35)20-11-13-22(38-4)14-12-20/h5-17H,1-4H3