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

Systemtic Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-propan-2-yl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-1-isopropyl-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-1-propan-2-yl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-1-propan-2-yl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-1-isopropyl-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3/c1-13(2)26-20(28)18(19(22(26)30)25-10-5-4-6-11-25)17-14(3)24-27(21(17)29)16-9-7-8-15(23)12-16/h4-13H,1-3H3