[(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-6-28-18-8-7-16(11-17(18)23(26)27)21(25)29-15(5)20(24)22-19-13(3)9-12(2)10-14(19)4/h7-11,15H,6H2,1-5H3,(H,22,24)/t15-/m1/s1