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

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H17ClN2O6/c20-16-4-2-1-3-14(16)18(23)12-28-19(24)15-11-13(22(25)26)5-6-17(15)21-7-9-27-10-8-21/h1-6,11H,7-10,12H2