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

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate Openeye Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: (4E)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-(2-oxolanylmethyl)-2-pyrrololate IUPAC Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-1-(oxolan-2-ylmethyl)pyrrol-2-olate Traditional Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[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)CC3CCCO3)[O-])[N+]4=CC(=CC(=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O4/c1-4-21-22(26(33)31(28-21)19-9-6-5-7-10-19)23-24(29-14-17(2)13-18(3)15-29)27(34)30(25(23)32)16-20-11-8-12-35-20/h5-7,9-10,13-15,20H,4,8,11-12,16H2,1-3H3