5-methoxy-4-(3-morpholin-4-ylpropoxy)-2-nitro-benzoic acid

Systemtic Name: 5-methoxy-4-(3-morpholin-4-ylpropoxy)-2-nitro-benzoic acid Openeye Name: 5-methoxy-4-(3-morpholinopropoxy)-2-nitro-benzoic acid CAS Name: 5-methoxy-4-[3-(4-morpholinyl)propoxy]-2-nitrobenzoic acid IUPAC Name: 5-methoxy-4-(3-morpholin-4-ylpropoxy)-2-nitrobenzoic acid Traditional Name: 5-methoxy-4-(3-morpholinopropoxy)-2-nitro-benzoic acid Formula: C15H20N2O7 MolecularWeight: 340.3285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCN2CCOCC2

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCN2CCOCC2

InChI

InChI=1S/C15H20N2O7/c1-22-13-9-11(15(18)19)12(17(20)21)10-14(13)24-6-2-3-16-4-7-23-8-5-16/h9-10H,2-8H2,1H3,(H,18,19)