[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O[C@@H](C)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H16N2O6/c1-10-5-3-7-13(18(21)22)14(10)16(20)24-11(2)15(19)17-9-12-6-4-8-23-12/h3-8,11H,9H2,1-2H3,(H,17,19)/t11-/m0/s1