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

Systemtic Name: [(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6/c1-12(18(23)13-3-6-15(20)7-4-13)28-19(24)14-5-8-16(21-9-10-27-2)17(11-14)22(25)26/h3-8,11-12,21H,9-10H2,1-2H3/t12-/m1/s1