[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O6/c1-8(12(20)17-14(22)18-15(2,3)4)25-13(21)10-7-9(19(23)24)5-6-11(10)16/h5-8H,16H2,1-4H3,(H2,17,18,20,22)/t8-/m1/s1