4-methoxy-3-morpholin-4-ylsulfonyl-5-nitro-benzoic acid

Systemtic Name: 4-methoxy-3-morpholin-4-ylsulfonyl-5-nitro-benzoic acid Openeye Name: 4-methoxy-3-morpholinosulfonyl-5-nitro-benzoic acid CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)-5-nitrobenzoic acid IUPAC Name: 4-methoxy-3-morpholin-4-ylsulfonyl-5-nitrobenzoic acid Traditional Name: 4-methoxy-3-morpholinosulfonyl-5-nitro-benzoic acid Formula: C12H14N2O8S MolecularWeight: 346.31316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)(=O)N2CCOCC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)(=O)N2CCOCC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O8S/c1-21-11-9(14(17)18)6-8(12(15)16)7-10(11)23(19,20)13-2-4-22-5-3-13/h6-7H,2-5H2,1H3,(H,15,16)