4-[(2S)-2-methylmorpholin-4-yl]-3-nitro-benzoate

Systemtic Name: 4-[(2S)-2-methylmorpholin-4-yl]-3-nitro-benzoate Openeye Name: 4-[(2S)-2-methylmorpholin-4-yl]-3-nitro-benzoate CAS Name: 4-[(2S)-2-methyl-4-morpholinyl]-3-nitrobenzoate IUPAC Name: 4-[(2S)-2-methylmorpholin-4-yl]-3-nitrobenzoate Traditional Name: 4-[(2S)-2-methylmorpholino]-3-nitro-benzoate Formula: C12H13N2O5- MolecularWeight: 265.24202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCO1)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5/c1-8-7-13(4-5-19-8)10-3-2-9(12(15)16)6-11(10)14(17)18/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)/p-1/t8-/m0/s1