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

Systemtic Name: 1-(3-chlorophenyl)-4-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 1-(3-chlorophenyl)-4-[1-(3,4-dichlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 1-(3-chlorophenyl)-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-(3-chlorophenyl)-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-(3-chlorophenyl)-4-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H19Cl3N4O3 MolecularWeight: 553.82376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19Cl3N4O3/c1-15(2)23-21(26(36)34(31-23)18-9-10-19(29)20(30)14-18)22-24(32-11-4-3-5-12-32)27(37)33(25(22)35)17-8-6-7-16(28)13-17/h3-15H,1-2H3