[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Cl

InChI

InChI=1S/C17H15ClN2O6/c18-12-3-1-11(2-4-12)16(22)10-26-17(23)14-9-13(20(24)25)5-6-15(14)19-7-8-21/h1-6,9,19,21H,7-8,10H2