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

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-methoxy-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-14(9-10-16-7-5-4-6-8-16)22-20(24)15(2)29-21(25)17-11-12-19(28-3)18(13-17)23(26)27/h4-8,11-15H,9-10H2,1-3H3,(H,22,24)/t14-,15+/m0/s1