dimethyl 2-tert-butyl-3-(4-nitrophenyl)carbonyl-3H-1,2-oxazole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-tert-butyl-3-(4-nitrophenyl)carbonyl-3H-1,2-oxazole-4,5-dicarboxylate Openeye Name: dimethyl 2-tert-butyl-3-(4-nitrobenzoyl)-3H-isoxazole-4,5-dicarboxylate CAS Name: 2-tert-butyl-3-[(4-nitrophenyl)-oxomethyl]-3H-isoxazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-tert-butyl-3-(4-nitrobenzoyl)-3H-1,2-oxazole-4,5-dicarboxylate Traditional Name: 2-tert-butyl-3-(4-nitrobenzoyl)-4-isoxazoline-4,5-dicarboxylic acid dimethyl ester Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(C(=C(O1)C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(C(=C(O1)C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O8/c1-18(2,3)19-13(12(16(22)26-4)15(28-19)17(23)27-5)14(21)10-6-8-11(9-7-10)20(24)25/h6-9,13H,1-5H3