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

Systemtic Name: (4E)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=C(C=C4)C)C5=CC=CC(=C5C)C

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=C(C=C4)C)C5=CC=CC(=C5C)C

InChI

InChI=1S/C29H32N4O3/c1-5-22-24(28(35)33(30-22)23-13-9-10-19(3)20(23)4)25-26(31-16-14-18(2)15-17-31)29(36)32(27(25)34)21-11-7-6-8-12-21/h9-10,13-17,21H,5-8,11-12H2,1-4H3