ethyl 3-methyl-4-oxidanidyl-6-phenyl-[1,2]oxazolo[4,5-b]pyridin-4-ium-5-carboxylate

Systemtic Name: ethyl 3-methyl-4-oxidanidyl-6-phenyl-[1,2]oxazolo[4,5-b]pyridin-4-ium-5-carboxylate Openeye Name: ethyl 3-methyl-4-oxido-6-phenyl-isoxazolo[4,5-b]pyridin-4-ium-5-carboxylate CAS Name: 3-methyl-4-oxido-6-phenyl-5-isoxazolo[4,5-b]pyridin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-oxido-6-phenyl-[1,2]oxazolo[4,5-b]pyridin-4-ium-5-carboxylate Traditional Name: 3-methyl-4-oxido-6-phenyl-isoxazolo[4,5-b]pyridin-4-ium-5-carboxylic acid ethyl ester Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=C(C=C1C3=CC=CC=C3)ON=C2C)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=C(C=C1C3=CC=CC=C3)ON=C2C)[O-]

InChI

InChI=1S/C16H14N2O4/c1-3-21-16(19)15-12(11-7-5-4-6-8-11)9-13-14(18(15)20)10(2)17-22-13/h4-9H,3H2,1-2H3