ethyl 4-(5-tert-butyl-3-oxidanylidene-1,2-oxazol-2-yl)-3-nitro-benzoate

Systemtic Name: ethyl 4-(5-tert-butyl-3-oxidanylidene-1,2-oxazol-2-yl)-3-nitro-benzoate Openeye Name: ethyl 4-(5-tert-butyl-3-oxo-isoxazol-2-yl)-3-nitro-benzoate CAS Name: 4-(5-tert-butyl-3-oxo-2-isoxazolyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(5-tert-butyl-3-oxo-1,2-oxazol-2-yl)-3-nitrobenzoate Traditional Name: 4-(5-tert-butyl-3-keto-4-isoxazolin-2-yl)-3-nitro-benzoic acid ethyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C(=O)C=C(O2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C(=O)C=C(O2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-5-23-15(20)10-6-7-11(12(8-10)18(21)22)17-14(19)9-13(24-17)16(2,3)4/h6-9H,5H2,1-4H3