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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6/c25-20(22-9-8-16-4-2-1-3-5-16)15-30-21(26)18-14-17(24(27)28)6-7-19(18)23-10-12-29-13-11-23/h1-7,14H,8-13,15H2,(H,22,25)