3-[(2-methylpropan-2-yl)oxycarbonyloxy]-4-nitro-benzoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-4-nitro-benzoic acid Openeye Name: 3-tert-butoxycarbonyloxy-4-nitro-benzoic acid CAS Name: 3-[(2-methylpropan-2-yl)oxy-oxomethoxy]-4-nitrobenzoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-4-nitrobenzoic acid Traditional Name: 3-tert-butoxycarbonyloxy-4-nitro-benzoic acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO7/c1-12(2,3)20-11(16)19-9-6-7(10(14)15)4-5-8(9)13(17)18/h4-6H,1-3H3,(H,14,15)