triethyl 5-(4-nitrophenyl)-5-oxidanylidene-pentane-1,3,3-tricarboxylate

Systemtic Name: triethyl 5-(4-nitrophenyl)-5-oxidanylidene-pentane-1,3,3-tricarboxylate Openeye Name: triethyl 5-(4-nitrophenyl)-5-oxo-pentane-1,3,3-tricarboxylate CAS Name: 5-(4-nitrophenyl)-5-oxopentane-1,3,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl 5-(4-nitrophenyl)-5-oxopentane-1,3,3-tricarboxylate Traditional Name: 5-keto-5-(4-nitrophenyl)pentane-1,3,3-tricarboxylic acid triethyl ester Formula: C20H25NO9 MolecularWeight: 423.4138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H25NO9/c1-4-28-17(23)11-12-20(18(24)29-5-2,19(25)30-6-3)13-16(22)14-7-9-15(10-8-14)21(26)27/h7-10H,4-6,11-13H2,1-3H3