O3-(3,3-dimethyl-2-oxidanylidene-butyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-(3,3-dimethyl-2-oxidanylidene-butyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(3,3-dimethyl-2-oxo-butyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(3,3-dimethyl-2-oxobutyl) ester O1-methyl ester IUPAC Name: 3-O-(3,3-dimethyl-2-oxobutyl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-keto-3,3-dimethyl-butyl) ester O1-methyl ester Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO7/c1-15(2,3)12(17)8-23-14(19)10-5-9(13(18)22-4)6-11(7-10)16(20)21/h5-7H,8H2,1-4H3