ethyl 4-oxidanylidene-7-phenyl-1H-pyrimido[1,2-b]pyridazin-5-ium-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-7-phenyl-1H-pyrimido[1,2-b]pyridazin-5-ium-3-carboxylate Openeye Name: ethyl 4-oxo-7-phenyl-1H-pyrimido[1,2-b]pyridazin-5-ium-3-carboxylate CAS Name: 4-oxo-7-phenyl-1H-pyrimido[1,2-b]pyridazin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-7-phenyl-1H-pyrimido[1,2-b]pyridazin-5-ium-3-carboxylate Traditional Name: 4-keto-7-phenyl-1H-pyrimido[1,2-b]pyridazin-5-ium-3-carboxylic acid ethyl ester Formula: C16H14N3O3+ MolecularWeight: 296.30066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNC2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3/c1-2-22-16(21)12-10-17-14-9-8-13(18-19(14)15(12)20)11-6-4-3-5-7-11/h3-10H,2H2,1H3/p+1