[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-12-6-7-13(2)16(10-12)19(23)14(3)27-20(24)15-8-9-17(21(4)5)18(11-15)22(25)26/h6-11,14H,1-5H3/t14-/m0/s1