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

Systemtic Name: [(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-(2,6-dimethylanilino)-2-keto-1-methyl-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)NC2=C(C=CC=C2C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-5-27-17-10-9-15(11-16(17)22(25)26)20(24)28-14(4)19(23)21-18-12(2)7-6-8-13(18)3/h6-11,14H,5H2,1-4H3,(H,21,23)/t14-/m1/s1