[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O6/c26-21(23-10-4-7-17-5-2-1-3-6-17)16-31-22(27)19-15-18(25(28)29)8-9-20(19)24-11-13-30-14-12-24/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,23,26)