ethyl 2-oxidanidyl-7-oxidanyl-3a,4,5,6-tetrahydro-1,2-benzoxazol-2-ium-3-carboxylate

Systemtic Name: ethyl 2-oxidanidyl-7-oxidanyl-3a,4,5,6-tetrahydro-1,2-benzoxazol-2-ium-3-carboxylate Openeye Name: ethyl 7-hydroxy-2-oxido-3a,4,5,6-tetrahydro-1,2-benzoxazol-2-ium-3-carboxylate CAS Name: 7-hydroxy-2-oxido-3a,4,5,6-tetrahydro-1,2-benzoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-2-oxido-3a,4,5,6-tetrahydro-1,2-benzoxazol-2-ium-3-carboxylate Traditional Name: 7-hydroxy-2-oxido-3a,4,5,6-tetrahydroindoxazen-2-ium-3-carboxylic acid ethyl ester Formula: C10H13NO5 MolecularWeight: 227.21392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](OC2=C(CCCC21)O)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](OC2=C(CCCC21)O)[O-]

InChI

InChI=1S/C10H13NO5/c1-2-15-10(13)8-6-4-3-5-7(12)9(6)16-11(8)14/h6,12H,2-5H2,1H3