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

Systemtic Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-benzoic acid Openeye Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-benzoic acid CAS Name: 2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-5-nitrobenzoic acid IUPAC Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitrobenzoic acid Traditional Name: 2-[(2S,6S)-2,6-dimethylmorpholino]-5-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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