O1-butyl O2-(2-methyl-2-nitro-propyl) benzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-(2-methyl-2-nitro-propyl) benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-(2-methyl-2-nitro-propyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(2-methyl-2-nitropropyl) ester IUPAC Name: 1-O-butyl 2-O-(2-methyl-2-nitropropyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(2-methyl-2-nitro-propyl) ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C16H21NO6/c1-4-5-10-22-14(18)12-8-6-7-9-13(12)15(19)23-11-16(2,3)17(20)21/h6-9H,4-5,10-11H2,1-3H3