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

Systemtic Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-5-oxo-1-(p-tolyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-1-(4-methylphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-(p-tolyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H20Cl2N4O3 MolecularWeight: 519.3787

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)C)[O-])[N+]4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)C)[O-])[N+]4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H20Cl2N4O3/c1-3-21-22(26(35)33(30-21)18-11-12-19(28)20(29)15-18)23-24(31-13-5-4-6-14-31)27(36)32(25(23)34)17-9-7-16(2)8-10-17/h4-15H,3H2,1-2H3