O1-methyl O3-(3-oxidanylidenebutan-2-yl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-(3-oxidanylidenebutan-2-yl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-(1-methyl-2-oxo-propyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(3-oxobutan-2-yl) ester IUPAC Name: 1-O-methyl 3-O-(3-oxobutan-2-yl) 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-keto-1-methyl-propyl) ester O1-methyl ester Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO7/c1-7(15)8(2)21-13(17)10-4-9(12(16)20-3)5-11(6-10)14(18)19/h4-6,8H,1-3H3