[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO6/c1-10(16(20)11-3-6-13(24-2)7-4-11)25-17(21)14-9-12(19(22)23)5-8-15(14)18/h3-10H,1-2H3/t10-/m1/s1