[(2S)-3-oxidanyl-2-[[(1R)-1-phenylethyl]amino]propyl] 4-nitrobenzoate

Systemtic Name: [(2S)-3-oxidanyl-2-[[(1R)-1-phenylethyl]amino]propyl] 4-nitrobenzoate Openeye Name: [(2S)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl] ester IUPAC Name: [(2S)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(CO)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N[C@@H](CO)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c1-13(14-5-3-2-4-6-14)19-16(11-21)12-25-18(22)15-7-9-17(10-8-15)20(23)24/h2-10,13,16,19,21H,11-12H2,1H3/t13-,16+/m1/s1