O1-butyl O2-(phenylmethyl) 4-nitrobenzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-(phenylmethyl) 4-nitrobenzene-1,2-dicarboxylate Openeye Name: O2-benzyl O1-butyl 4-nitrobenzene-1,2-dicarboxylate CAS Name: 4-nitrobenzene-1,2-dicarboxylic acid O1-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-butyl 4-nitrobenzene-1,2-dicarboxylate Traditional Name: 4-nitrobenzene-1,2-dicarboxylic acid O2-benzyl ester O1-butyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H19NO6/c1-2-3-11-25-18(21)16-10-9-15(20(23)24)12-17(16)19(22)26-13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3