4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(4-methylphenyl)-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-methylphenyl)-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]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(p-tolyl)pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-(4-methylphenyl)-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-methylphenyl)-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-3-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)-2-pyrrolin-2-olate Formula: C29H25ClN4O3 MolecularWeight: 512.9868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C2=O)[N+]5=CC=CC(=C5)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C2=O)[N+]5=CC=CC(=C5)C)[O-]

InChI

InChI=1S/C29H25ClN4O3/c1-17(2)25-23(28(36)34(31-25)22-13-9-20(30)10-14-22)24-26(32-15-5-6-19(4)16-32)29(37)33(27(24)35)21-11-7-18(3)8-12-21/h5-17H,1-4H3