4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate

Systemtic Name: 4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-propylpyrrol-2-olate Traditional Name: 4-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-(4-methylpyridin-1-ium-1-yl)-1-propyl-2-pyrrolin-2-olate Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CCC)[O-])[N+]3=CC=C(C=C3)C)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CCC)[O-])[N+]3=CC=C(C=C3)C)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C27H30N4O3/c1-6-8-20-22(26(33)31(28-20)21-10-9-18(4)16-19(21)5)23-24(29-14-11-17(3)12-15-29)27(34)30(13-7-2)25(23)32/h9-12,14-16H,6-8,13H2,1-5H3