[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-14(19(24)21-12-11-15-7-5-4-6-8-15)28-20(25)16-9-10-17(22(2)3)18(13-16)23(26)27/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)/t14-/m1/s1