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

Systemtic Name: (4E)-4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-propan-2-yl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-1-isopropyl-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-1-propan-2-yl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-1-propan-2-yl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-1-isopropyl-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C22H18Cl2N4O3 MolecularWeight: 457.30932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N4O3/c1-12(2)27-20(29)18(19(22(27)31)26-9-5-4-6-10-26)17-13(3)25-28(21(17)30)14-7-8-15(23)16(24)11-14/h4-12H,1-3H3