(4E)-1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: (4E)-1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-2-pyrrolin-2-olate Formula: C28H30N4O3 MolecularWeight: 470.5628

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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(=CC(=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3/c1-4-22-23(27(34)32(29-22)21-13-9-6-10-14-21)24-25(30-16-18(2)15-19(3)17-30)28(35)31(26(24)33)20-11-7-5-8-12-20/h6,9-10,13-17,20H,4-5,7-8,11-12H2,1-3H3