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

Systemtic Name: (4E)-4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-5-oxidanylidene-1-propan-2-yl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-1-isopropyl-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-5-oxo-1-propan-2-yl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-5-oxo-1-propan-2-yl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-1-isopropyl-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C\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

InChI

InChI=1S/C24H23ClN4O3/c1-14(2)20-18(23(31)29(26-20)17-10-8-16(25)9-11-17)19-21(27-12-6-5-7-13-27)24(32)28(15(3)4)22(19)30/h5-15H,1-4H3