tert-butyl 4-(3-nitrophenyl)-2-oxidanylidene-5H-1,3-oxazole-5-carboxylate

Systemtic Name: tert-butyl 4-(3-nitrophenyl)-2-oxidanylidene-5H-1,3-oxazole-5-carboxylate Openeye Name: tert-butyl 4-(3-nitrophenyl)-2-oxo-5H-oxazole-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-oxo-5H-oxazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-nitrophenyl)-2-oxo-5H-1,3-oxazole-5-carboxylate Traditional Name: 2-keto-4-(3-nitrophenyl)-3-oxazoline-5-carboxylic acid tert-butyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=NC(=O)O1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=NC(=O)O1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-14(2,3)22-12(17)11-10(15-13(18)21-11)8-5-4-6-9(7-8)16(19)20/h4-7,11H,1-3H3