[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O6/c30-25(27-23-9-5-4-8-20(23)16-19-6-2-1-3-7-19)18-35-26(31)22-17-21(29(32)33)10-11-24(22)28-12-14-34-15-13-28/h1-11,17H,12-16,18H2,(H,27,30)