(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(methylamino)-5-nitro-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-8(2)21-12(16)7-20-13(17)10-6-9(15(18)19)4-5-11(10)14-3/h4-6,8,14H,7H2,1-3H3