[(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-12(2)16-7-5-6-8-17(16)21-19(23)14(4)27-20(24)15-10-9-13(3)18(11-15)22(25)26/h5-12,14H,1-4H3,(H,21,23)/t14-/m1/s1