[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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