ethyl 4-(3-nitrophenyl)-2-oxidanidyl-5-(phenylcarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-oxidanidyl-5-(phenylcarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Openeye Name: ethyl 5-benzoyl-4-(3-nitrophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylate CAS Name: 5-benzoyl-4-(3-nitrophenyl)-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-4-(3-nitrophenyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Traditional Name: 5-benzoyl-4-(3-nitrophenyl)-2-oxido-2-isoxazolin-2-ium-3-carboxylic acid ethyl ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](OC(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](OC(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H16N2O7/c1-2-27-19(23)16-15(13-9-6-10-14(11-13)20(24)25)18(28-21(16)26)17(22)12-7-4-3-5-8-12/h3-11,15,18H,2H2,1H3