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

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-9(13(19)17-15(2,3)4)23-14(20)11-8-10(18(21)22)6-7-12(11)16-5/h6-9,16H,1-5H3,(H,17,19)/t9-/m1/s1