1-ethyl-2-oxidanyl-3-[5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-yl]-3H-quinolin-1-ium-4-one

Systemtic Name: 1-ethyl-2-oxidanyl-3-[5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-yl]-3H-quinolin-1-ium-4-one Openeye Name: 1-ethyl-2-hydroxy-3-[5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-yl]-3H-quinolin-1-ium-4-one CAS Name: 1-ethyl-2-hydroxy-3-[5-oxo-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1,2-dihydropyrazol-3-yl]-3H-quinolin-1-ium-4-one IUPAC Name: 1-ethyl-2-hydroxy-3-[5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-yl]-3H-quinolin-1-ium-4-one Traditional Name: 1-ethyl-2-hydroxy-3-[5-keto-4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-3-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C21H18N3O4+ MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=C(C(=O)NN3)C=C4C=CC(=O)C=C4)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=C(C(=O)NN3)C=C4C=CC(=O)C=C4)O

InChI

InChI=1S/C21H17N3O4/c1-2-24-16-6-4-3-5-14(16)19(26)17(21(24)28)18-15(20(27)23-22-18)11-12-7-9-13(25)10-8-12/h3-11,17H,2H2,1H3,(H2,22,23,25,27)/p+1