diethyl (4R,5S)-4-(1H-indol-3-yl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: diethyl (4R,5S)-4-(1H-indol-3-yl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: diethyl (4R,5S)-4-(1H-indol-3-yl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: (4R,5S)-4-(1H-indol-3-yl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4R,5S)-4-(1H-indol-3-yl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: (4R,5S)-4-(1H-indol-3-yl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid diethyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=[N+](O1)[O-])C(=O)OCC)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](C(=[N+](O1)[O-])C(=O)OCC)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H18N2O6/c1-3-23-16(20)14-13(15(25-19(14)22)17(21)24-4-2)11-9-18-12-8-6-5-7-10(11)12/h5-9,13,15,18H,3-4H2,1-2H3/t13-,15+/m1/s1