3-nitrooxypropyl (2S)-2-azanyl-4-phenyl-butanoate

Systemtic Name: 3-nitrooxypropyl (2S)-2-azanyl-4-phenyl-butanoate Openeye Name: 3-nitrooxypropyl (2S)-2-amino-4-phenyl-butanoate CAS Name: (2S)-2-amino-4-phenylbutanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (2S)-2-amino-4-phenylbutanoate Traditional Name: (2S)-2-amino-4-phenyl-butyric acid 3-nitrooxypropyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)OCCCO[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)OCCCO[N+](=O)[O-])N

InChI

InChI=1S/C13H18N2O5/c14-12(8-7-11-5-2-1-3-6-11)13(16)19-9-4-10-20-15(17)18/h1-3,5-6,12H,4,7-10,14H2/t12-/m0/s1