[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-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-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H29N3O6 MolecularWeight: 395.45006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O6/c1-12(2)21(13(3)4)18(23)14(5)28-19(24)16-11-15(22(25)26)7-8-17(16)20-9-10-27-6/h7-8,11-14,20H,9-10H2,1-6H3/t14-/m0/s1