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

Systemtic Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-(oxolan-2-ylmethyl)pyrrol-2-olate Openeye Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: (4E)-3-(3,4-dimethyl-1-pyridin-1-iumyl)-5-oxo-1-(2-oxolanylmethyl)-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-5-oxo-1-(oxolan-2-ylmethyl)-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)CC5CCCO5)[O-])C

Isomeric SMILES

CC1=C(C=[N+](C=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C(C)C)CC5CCCO5)[O-])C

InChI

InChI=1S/C28H30N4O4/c1-17(2)24-22(27(34)32(29-24)20-9-6-5-7-10-20)23-25(30-13-12-18(3)19(4)15-30)28(35)31(26(23)33)16-21-11-8-14-36-21/h5-7,9-10,12-13,15,17,21H,8,11,14,16H2,1-4H3