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

Systemtic Name: 1-ethyl-2-oxidanyl-3-[(4Z)-5-oxidanylidene-4-(phenylmethylidene)-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one Openeye Name: 3-[(4Z)-4-benzylidene-5-oxo-1H-pyrazol-3-yl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one CAS Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-oxo-4-(phenylmethylene)-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(4Z)-4-benzylidene-5-oxo-1H-pyrazol-3-yl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one Traditional Name: 3-[(4Z)-4-benzal-5-keto-2-pyrazolin-3-yl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one Formula: C21H18N3O3+ MolecularWeight: 360.38592

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3/c1-2-24-16-11-7-6-10-14(16)19(25)17(21(24)27)18-15(20(26)23-22-18)12-13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H,23,26)/p+1/b15-12-