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

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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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-])N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-10(14(20)17-16(2,3)4)24-15(21)12-9-11(19(22)23)7-8-13(12)18(5)6/h7-10H,1-6H3,(H,17,20)/t10-/m1/s1