3-[[3-(1-ethyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-5-oxidanylidene-1H-pyrazol-4-ylidene]methylidene]-8-methyl-1H-quinoline-2,4-dione

Systemtic Name: 3-[[3-(1-ethyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-5-oxidanylidene-1H-pyrazol-4-ylidene]methylidene]-8-methyl-1H-quinoline-2,4-dione Openeye Name: 3-[[3-(1-ethyl-2-hydroxy-4-oxo-3H-quinolin-1-ium-3-yl)-5-oxo-1H-pyrazol-4-ylidene]methylene]-8-methyl-1H-quinoline-2,4-dione CAS Name: 3-[[3-(1-ethyl-2-hydroxy-4-oxo-3H-quinolin-1-ium-3-yl)-5-oxo-1H-pyrazol-4-ylidene]methylidene]-8-methyl-1H-quinoline-2,4-dione IUPAC Name: 3-[[3-(1-ethyl-2-hydroxy-4-oxo-3H-quinolin-1-ium-3-yl)-5-oxo-1H-pyrazol-4-ylidene]methylidene]-8-methyl-1H-quinoline-2,4-dione Traditional Name: 3-[[3-(1-ethyl-2-hydroxy-4-keto-3H-quinolin-1-ium-3-yl)-5-keto-2-pyrazolin-4-ylidene]methylene]-8-methyl-1H-quinoline-2,4-quinone Formula: C25H19N4O5+ MolecularWeight: 455.44216

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(=O)C3=C=C4C(=O)C5=C(C(=CC=C5)C)NC4=O)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(=O)C3=C=C4C(=O)C5=C(C(=CC=C5)C)NC4=O)O

InChI

InChI=1S/C25H18N4O5/c1-3-29-17-10-5-4-8-13(17)22(31)18(25(29)34)20-15(24(33)28-27-20)11-16-21(30)14-9-6-7-12(2)19(14)26-23(16)32/h4-10,18H,3H2,1-2H3,(H2,26,28,30,32,33)/p+1