[3-(bromomethyl)-7-nitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [3-(bromomethyl)-7-nitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-morpholin-4-yl-methanone Openeye Name: [3-(bromomethyl)-5,6-dihydroxy-7-nitro-benzothiophen-2-yl]-morpholino-methanone CAS Name: [3-(bromomethyl)-5,6-dihydroxy-7-nitro-1-benzothiophen-2-yl]-(4-morpholinyl)methanone IUPAC Name: [3-(bromomethyl)-5,6-dihydroxy-7-nitro-1-benzothiophen-2-yl]-morpholin-4-ylmethanone Traditional Name: [3-(bromomethyl)-5,6-dihydroxy-7-nitro-benzothiophen-2-yl]-morpholino-methanone Formula: C14H13BrN2O6S MolecularWeight: 417.23182

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(C3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O)CBr

Isomeric SMILES

C1COCCN1C(=O)C2=C(C3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O)CBr

InChI

InChI=1S/C14H13BrN2O6S/c15-6-8-7-5-9(18)11(19)10(17(21)22)12(7)24-13(8)14(20)16-1-3-23-4-2-16/h5,18-19H,1-4,6H2