ethyl 2-(1H-imidazo[1,2-b]pyridazin-4-ium-6-yl)-3-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(1H-imidazo[1,2-b]pyridazin-4-ium-6-yl)-3-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 3-hydroxy-2-(1H-imidazo[1,2-b]pyridazin-4-ium-6-yl)-4H-pyrazole-3-carboxylate CAS Name: 3-hydroxy-2-(1H-imidazo[1,2-b]pyridazin-4-ium-6-yl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2-(1H-imidazo[1,2-b]pyridazin-4-ium-6-yl)-4H-pyrazole-3-carboxylate Traditional Name: 3-hydroxy-2-(1H-imidazo[1,2-b]pyridazin-4-ium-6-yl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C12H14N5O3+ MolecularWeight: 276.27126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC=NN1C2=N[N+]3=C(C=C2)NC=C3)O

Isomeric SMILES

CCOC(=O)C1(CC=NN1C2=N[N+]3=C(C=C2)NC=C3)O

InChI

InChI=1S/C12H13N5O3/c1-2-20-11(18)12(19)5-6-14-17(12)10-4-3-9-13-7-8-16(9)15-10/h3-4,6-8,19H,2,5H2,1H3/p+1