[(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H20N2O6/c1-15(17-9-5-10-18(14-17)24(27)28)30-22(26)19(13-16-7-3-2-4-8-16)23-21(25)20-11-6-12-29-20/h2-12,14-15,19H,13H2,1H3,(H,23,25)/t15-,19-/m0/s1