4-(3-methylmorpholin-4-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(3-methylmorpholin-4-yl)-3-nitro-benzoic acid Openeye Name: 4-(3-methylmorpholin-4-yl)-3-nitro-benzoic acid CAS Name: 4-(3-methyl-4-morpholinyl)-3-nitrobenzoic acid IUPAC Name: 4-(3-methylmorpholin-4-yl)-3-nitrobenzoic acid Traditional Name: 4-(3-methylmorpholino)-3-nitro-benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1COCCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5/c1-8-7-19-5-4-13(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)