[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-3-27-18-10-9-16(13-17(18)22(25)26)20(24)28-14(2)19(23)21-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)/t14-/m1/s1