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

Systemtic Name: dimethyl 4-(1H-indol-3-yl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dimethyl 4-(1H-indol-3-yl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: 4-(1H-indol-3-yl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(1H-indol-3-yl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: 4-(1H-indol-3-yl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid dimethyl ester Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6/c1-21-14(18)12-11(13(15(19)22-2)23-17(12)20)9-7-16-10-6-4-3-5-8(9)10/h3-7,11,13,16H,1-2H3