tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-4-oxidanylidene-butanoyl]-3-nitro-benzoate

Systemtic Name: tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-4-oxidanylidene-butanoyl]-3-nitro-benzoate Openeye Name: tert-butyl 4-[4-(tert-butoxycarbonylamino)oxy-4-oxo-butanoyl]-3-nitro-benzoate CAS Name: 4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]oxy-1,4-dioxobutyl]-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-4-oxobutanoyl]-3-nitrobenzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)oxy-4-keto-butanoyl]-3-nitro-benzoic acid tert-butyl ester Formula: C20H26N2O9 MolecularWeight: 438.42844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)CCC(=O)ONC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)CCC(=O)ONC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O9/c1-19(2,3)29-17(25)12-7-8-13(14(11-12)22(27)28)15(23)9-10-16(24)31-21-18(26)30-20(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,21,26)