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

Systemtic Name: morpholin-4-yl-[7-nitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]methanone Openeye Name: (5,6-dihydroxy-7-nitro-benzothiophen-2-yl)-morpholino-methanone CAS Name: (5,6-dihydroxy-7-nitro-1-benzothiophen-2-yl)-(4-morpholinyl)methanone IUPAC Name: (5,6-dihydroxy-7-nitro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone Traditional Name: (5,6-dihydroxy-7-nitro-benzothiophen-2-yl)-morpholino-methanone Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O

InChI

InChI=1S/C13H12N2O6S/c16-8-5-7-6-9(13(18)14-1-3-21-4-2-14)22-12(7)10(11(8)17)15(19)20/h5-6,16-17H,1-4H2