4-(2,6-dimethylmorpholin-4-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(2,6-dimethylmorpholin-4-yl)-3-nitro-benzoic acid Openeye Name: 4-(2,6-dimethylmorpholin-4-yl)-3-nitro-benzoic acid CAS Name: 4-(2,6-dimethyl-4-morpholinyl)-3-nitrobenzoic acid IUPAC Name: 4-(2,6-dimethylmorpholin-4-yl)-3-nitrobenzoic acid Traditional Name: 4-(2,6-dimethylmorpholino)-3-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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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