4-(2,2-dimethylmorpholin-4-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(2,2-dimethylmorpholin-4-yl)-3-nitro-benzoic acid Openeye Name: 4-(2,2-dimethylmorpholin-4-yl)-3-nitro-benzoic acid CAS Name: 4-(2,2-dimethyl-4-morpholinyl)-3-nitrobenzoic acid IUPAC Name: 4-(2,2-dimethylmorpholin-4-yl)-3-nitrobenzoic acid Traditional Name: 4-(2,2-dimethylmorpholino)-3-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCO1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1(CN(CCO1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C

InChI

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