[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClNO6/c1-3-25-16-9-6-13(10-15(16)20(23)24)18(22)26-11(2)17(21)12-4-7-14(19)8-5-12/h4-11H,3H2,1-2H3/t11-/m1/s1