dimethyl 4-(4-acetamidophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(4-acetamidophenyl)-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Openeye Name: dimethyl 4-(4-acetamidophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylate CAS Name: 4-(4-acetamidophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(4-acetamidophenyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate Traditional Name: 4-(4-acetamidophenyl)-2-oxido-2-isoxazolin-2-ium-3,5-dicarboxylic acid dimethyl ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2C(O[N+](=C2C(=O)OC)[O-])C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2C(O[N+](=C2C(=O)OC)[O-])C(=O)OC

InChI

InChI=1S/C15H16N2O7/c1-8(18)16-10-6-4-9(5-7-10)11-12(14(19)22-2)17(21)24-13(11)15(20)23-3/h4-7,11,13H,1-3H3,(H,16,18)