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

Systemtic Name: (4E)-4-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(p-tolyl)pyrrol-2-olate CAS Name: (4E)-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-1-(4-methylphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-4-[1-(3,4-dichlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)-2-pyrrolin-2-olate Formula: C29H24Cl2N4O3 MolecularWeight: 547.43186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)C)[O-])[N+]4=CC=CC(=C4)C)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC=C(C=C3)C)[O-])[N+]4=CC=CC(=C4)C)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H24Cl2N4O3/c1-4-6-23-24(28(37)35(32-23)20-12-13-21(30)22(31)15-20)25-26(33-14-5-7-18(3)16-33)29(38)34(27(25)36)19-10-8-17(2)9-11-19/h5,7-16H,4,6H2,1-3H3