[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)N(C(C)C)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C

InChI

InChI=1S/C17H24N2O5/c1-10(2)18(11(3)4)16(20)13(6)24-17(21)15-12(5)8-7-9-14(15)19(22)23/h7-11,13H,1-6H3/t13-/m0/s1