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

Systemtic Name: 1-ethyl-3-[(4Z)-4-[(3-methoxyphenyl)methylidene]-5-oxidanylidene-1H-pyrazol-3-yl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 1-ethyl-2-hydroxy-3-[(4Z)-4-[(3-methoxyphenyl)methylene]-5-oxo-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one CAS Name: 1-ethyl-2-hydroxy-3-[(4Z)-4-[(3-methoxyphenyl)methylidene]-5-oxo-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one IUPAC Name: 1-ethyl-2-hydroxy-3-[(4Z)-4-[(3-methoxyphenyl)methylidene]-5-oxo-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one Traditional Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-keto-4-m-anisylidene-2-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C22H20N3O4+ MolecularWeight: 390.4119

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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=CC4=CC(=CC=C4)OC)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C\3=NNC(=O)/C3=C\C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C22H19N3O4/c1-3-25-17-10-5-4-9-15(17)20(26)18(22(25)28)19-16(21(27)24-23-19)12-13-7-6-8-14(11-13)29-2/h4-12,18H,3H2,1-2H3,(H,24,27)/p+1/b16-12-