[(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20N4O6 MolecularWeight: 352.3425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC

InChI

InChI=1S/C15H20N4O6/c1-8(2)17-15(22)18-13(20)9(3)25-14(21)11-7-10(19(23)24)5-6-12(11)16-4/h5-9,16H,1-4H3,(H2,17,18,20,22)/t9-/m1/s1