[(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H20N2O6/c1-11(2)16(19-17(21)15-8-5-9-25-15)18(22)26-12(3)13-6-4-7-14(10-13)20(23)24/h4-12,16H,1-3H3,(H,19,21)/t12-,16+/m1/s1