[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [2-[(2R,6R)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C(=O)COC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-14-11-23(12-15(2)30-14)20(25)13-29-21(26)16-8-9-18(19(10-16)24(27)28)22-17-6-4-3-5-7-17/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15-/m1/s1