2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitro-phenyl]carbonylbenzoate Openeye Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-3-nitrophenyl]-oxomethyl]benzoate IUPAC Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-[(2R,6R)-2,6-dimethylmorpholino]-3-nitro-benzoyl]benzoate Formula: C20H19N2O6- MolecularWeight: 383.37466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-12-10-21(11-13(2)28-12)17-8-7-14(9-18(17)22(26)27)19(23)15-5-3-4-6-16(15)20(24)25/h3-9,12-13H,10-11H2,1-2H3,(H,24,25)/p-1/t12-,13-/m1/s1