[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C18H17BrN2O6/c1-11(17(23)12-2-4-13(19)5-3-12)27-18(24)15-10-14(21(25)26)6-7-16(15)20-8-9-22/h2-7,10-11,20,22H,8-9H2,1H3/t11-/m0/s1