[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C11H13N3O7 MolecularWeight: 299.23682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O7/c1-6(2)12-11(17)13-8(15)5-20-10(16)7-3-4-9(21-7)14(18)19/h3-4,6H,5H2,1-2H3,(H2,12,13,15,17)