[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-15(16-5-3-2-4-6-16)22-20(25)14-30-21(26)17-7-8-18(19(13-17)24(27)28)23-9-11-29-12-10-23/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)/t15-/m1/s1