[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6/c1-11(2)10-19-17(21)12(3)25-18(22)16-9-8-15(26-16)13-4-6-14(7-5-13)20(23)24/h4-9,11-12H,10H2,1-3H3,(H,19,21)/t12-/m0/s1