[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C17H18N2O6/c1-9-10(2)24-11(3)15(9)17(21)25-12(4)16(20)18-13-7-5-6-8-14(13)19(22)23/h5-8,12H,1-4H3,(H,18,20)/t12-/m1/s1