[(2R)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NCC(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC[C@H](C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-13-11-17(9-10-18(13)22(25)26)20(24)27-15(3)19(23)21-12-14(2)16-7-5-4-6-8-16/h4-11,14-15H,12H2,1-3H3,(H,21,23)/t14-,15+/m0/s1