[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-ethoxy-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-ethoxy-2-keto-1-methyl-ethyl] ester Formula: C12H12ClNO6 MolecularWeight: 301.67978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO6/c1-3-19-11(15)7(2)20-12(16)9-6-8(14(17)18)4-5-10(9)13/h4-7H,3H2,1-2H3/t7-/m0/s1