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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-15(10-11-17-8-6-5-7-9-17)23-21(26)16(2)30-22(27)18-12-13-19(24(3)4)20(14-18)25(28)29/h5-9,12-16H,10-11H2,1-4H3,(H,23,26)/t15-,16+/m1/s1