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

Systemtic Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-phenyl-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-phenyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-5-oxo-1-phenyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(3,4-dichlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-5-oxo-1-phenyl-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-phenyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C26H18Cl2N4O3 MolecularWeight: 505.35212

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H18Cl2N4O3/c1-2-20-21(25(34)32(29-20)17-11-12-18(27)19(28)15-17)22-23(30-13-7-4-8-14-30)26(35)31(24(22)33)16-9-5-3-6-10-16/h3-15H,2H2,1H3