[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-nitrobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-nitrobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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