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

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isobutyl-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: (4E)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isobutyl-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-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)CC(C)C)[O-])[N+]3=CC(=CC(=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC(=CC(=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-6-10-21-22(26(33)31(28-21)20-11-8-7-9-12-20)23-24(29-15-18(4)13-19(5)16-29)27(34)30(25(23)32)14-17(2)3/h7-9,11-13,15-17H,6,10,14H2,1-5H3