(2-acetamido-4,6-dinitro-phenyl) furan-2-carboxylate

Systemtic Name: (2-acetamido-4,6-dinitro-phenyl) furan-2-carboxylate Openeye Name: (2-acetamido-4,6-dinitro-phenyl) furan-2-carboxylate CAS Name: 2-furancarboxylic acid (2-acetamido-4,6-dinitrophenyl) ester IUPAC Name: (2-acetamido-4,6-dinitrophenyl) furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (2-acetamido-4,6-dinitro-phenyl) ester Formula: C13H9N3O8 MolecularWeight: 335.22586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1OC(=O)C2=CC=CO2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1OC(=O)C2=CC=CO2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O8/c1-7(17)14-9-5-8(15(19)20)6-10(16(21)22)12(9)24-13(18)11-3-2-4-23-11/h2-6H,1H3,(H,14,17)