[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-21(2,3)16-12-11-15(13-17(16)23(26)27)20(25)28-18(19(24)22(4)5)14-9-7-6-8-10-14/h6-13,18H,1-5H3/t18-/m1/s1