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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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)NCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-14(15-6-4-3-5-7-15)22-19(24)13-29-20(25)16-8-9-17(21-10-11-28-2)18(12-16)23(26)27/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,24)/t14-/m1/s1