[(1S)-1-(3-nitrophenyl)ethyl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H16N2O5/c1-12(13-5-4-6-14(11-13)20(22)23)24-18(21)10-9-17-19-15-7-2-3-8-16(15)25-17/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1