5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-nitro-benzoate

Systemtic Name: 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-nitro-benzoate Openeye Name: 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-nitro-benzoate CAS Name: 5-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-nitrobenzoate IUPAC Name: 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-nitrobenzoate Traditional Name: 5-[(2S,6S)-2,6-dimethylmorpholino]-2-nitro-benzoate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-8-6-14(7-9(2)20-8)10-3-4-12(15(18)19)11(5-10)13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)/p-1/t8-,9-/m0/s1