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

Systemtic Name: [3-chloranyl-4-nitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-morpholin-4-yl-methanone Openeye Name: (3-chloro-5,6-dihydroxy-4-nitro-benzothiophen-2-yl)-morpholino-methanone CAS Name: (3-chloro-5,6-dihydroxy-4-nitro-1-benzothiophen-2-yl)-(4-morpholinyl)methanone IUPAC Name: (3-chloro-5,6-dihydroxy-4-nitro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone Traditional Name: (3-chloro-5,6-dihydroxy-4-nitro-benzothiophen-2-yl)-morpholino-methanone Formula: C13H11ClN2O6S MolecularWeight: 358.75424

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(C3=C(S2)C=C(C(=C3[N+](=O)[O-])O)O)Cl

Isomeric SMILES

C1COCCN1C(=O)C2=C(C3=C(S2)C=C(C(=C3[N+](=O)[O-])O)O)Cl

InChI

InChI=1S/C13H11ClN2O6S/c14-9-8-7(5-6(17)11(18)10(8)16(20)21)23-12(9)13(19)15-1-3-22-4-2-15/h5,17-18H,1-4H2