4-(1H-indol-3-yl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylic acid

Systemtic Name: 4-(1H-indol-3-yl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylic acid Openeye Name: 4-(1H-indol-3-yl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid CAS Name: 4-(1H-indol-3-yl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid IUPAC Name: 4-(1H-indol-3-yl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylic acid Traditional Name: 4-(1H-indol-3-yl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3C(O[N+](=C3C(=O)O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3C(O[N+](=C3C(=O)O)[O-])C(=O)O

InChI

InChI=1S/C13H10N2O6/c16-12(17)10-9(11(13(18)19)21-15(10)20)7-5-14-8-4-2-1-3-6(7)8/h1-5,9,11,14H,(H,16,17)(H,18,19)