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

Systemtic Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-phenyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-5-oxo-1-phenyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-5-oxo-1-phenyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-5-oxo-1-phenyl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-phenyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H24N4O3 MolecularWeight: 464.51516

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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=C(C=C(C=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O3/c1-4-21-23(27(34)32(29-21)22-14-13-18(2)17-19(22)3)24-25(30-15-9-6-10-16-30)28(35)31(26(24)33)20-11-7-5-8-12-20/h5-17H,4H2,1-3H3