(2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-azanyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-azanyl-3-nitro-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-7(2)20-11(15)6-19-12(16)8-3-4-9(13)10(5-8)14(17)18/h3-5,7H,6,13H2,1-2H3