(2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl) 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl) 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: (2-anilino-2-oxo-1-phenyl-ethyl) 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid (2-anilino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-anilino-2-oxo-1-phenylethyl) 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid (2-anilino-2-keto-1-phenyl-ethyl) ester Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O6/c29-24(26-19-9-5-2-6-10-19)23(18-7-3-1-4-8-18)34-25(30)21-17-20(11-12-22(21)28(31)32)27-13-15-33-16-14-27/h1-12,17,23H,13-16H2,(H,26,29)