3-chloranyl-N,N-diethyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N,N-diethyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N,N-diethyl-5,6-dihydroxy-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N,N-diethyl-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N,N-diethyl-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N,N-diethyl-5,6-dihydroxy-7-nitro-benzothiophene-2-carboxamide Formula: C13H13ClN2O5S MolecularWeight: 344.77072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C2=CC(=C(C(=C2S1)[N+](=O)[O-])O)O)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C2=CC(=C(C(=C2S1)[N+](=O)[O-])O)O)Cl

InChI

InChI=1S/C13H13ClN2O5S/c1-3-15(4-2)13(19)12-8(14)6-5-7(17)10(18)9(16(20)21)11(6)22-12/h5,17-18H,3-4H2,1-2H3