[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C20H21NO7/c1-5-27-18-11-16(21(24)25)15(10-17(18)26-4)20(23)28-13(3)19(22)14-8-6-12(2)7-9-14/h6-11,13H,5H2,1-4H3/t13-/m1/s1