1-ethyl-3-[(4Z)-4-[1-(1-ethyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)ethylidene]-5-oxidanylidene-1H-pyrazol-3-yl]-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 1-ethyl-3-[(4Z)-4-[1-(1-ethyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)ethylidene]-5-oxidanylidene-1H-pyrazol-3-yl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 1-ethyl-3-[(4Z)-4-[1-(1-ethyl-2-hydroxy-4-oxo-3H-quinolin-1-ium-3-yl)ethylidene]-5-oxo-1H-pyrazol-3-yl]-2-hydroxy-3H-quinolin-1-ium-4-one CAS Name: 1-ethyl-3-[(4Z)-4-[1-(1-ethyl-2-hydroxy-4-oxo-3H-quinolin-1-ium-3-yl)ethylidene]-5-oxo-1H-pyrazol-3-yl]-2-hydroxy-3H-quinolin-1-ium-4-one IUPAC Name: 1-ethyl-3-[(4Z)-4-[1-(1-ethyl-2-hydroxy-4-oxo-3H-quinolin-1-ium-3-yl)ethylidene]-5-oxo-1H-pyrazol-3-yl]-2-hydroxy-3H-quinolin-1-ium-4-one Traditional Name: 1-ethyl-3-[(4Z)-4-[1-(1-ethyl-2-hydroxy-4-keto-3H-quinolin-1-ium-3-yl)ethylidene]-5-keto-2-pyrazolin-3-yl]-2-hydroxy-3H-quinolin-1-ium-4-one Formula: C27H26N4O5+2 MolecularWeight: 486.51914

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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(C)C4C(=O)C5=CC=CC=C5[N+](=C4O)CC)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C\3=NNC(=O)/C3=C(/C)\C4C(=O)C5=CC=CC=C5[N+](=C4O)CC)O

InChI

InChI=1S/C27H24N4O5/c1-4-30-17-12-8-6-10-15(17)23(32)20(26(30)35)14(3)19-22(28-29-25(19)34)21-24(33)16-11-7-9-13-18(16)31(5-2)27(21)36/h6-13,20-21H,4-5H2,1-3H3,(H,29,34)/p+2/b19-14-