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

Systemtic Name: 4-bromanyl-3-morpholin-4-ylsulfonyl-5-nitro-benzoic acid Openeye Name: 4-bromo-3-morpholinosulfonyl-5-nitro-benzoic acid CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)-5-nitrobenzoic acid IUPAC Name: 4-bromo-3-morpholin-4-ylsulfonyl-5-nitrobenzoic acid Traditional Name: 4-bromo-3-morpholinosulfonyl-5-nitro-benzoic acid Formula: C11H11BrN2O7S MolecularWeight: 395.18324

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=CC(=C2Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=CC(=C2Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H11BrN2O7S/c12-10-8(14(17)18)5-7(11(15)16)6-9(10)22(19,20)13-1-3-21-4-2-13/h5-6H,1-4H2,(H,15,16)