[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [(1R)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C21H25N3O6/c1-14(20(25)22-12-11-15-5-8-17(29-4)9-6-15)30-21(26)18-13-16(24(27)28)7-10-19(18)23(2)3/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)/t14-/m1/s1